	.file	"181392839.c"
	.intel_syntax noprefix
	.text
	.globl	element
	.section	.rodata
.LC0:
	.string	" "
.LC1:
	.string	"H"
.LC2:
	.string	"He"
.LC3:
	.string	"Li"
.LC4:
	.string	"Be"
.LC5:
	.string	"B"
.LC6:
	.string	"C"
.LC7:
	.string	"N"
.LC8:
	.string	"O"
.LC9:
	.string	"F"
.LC10:
	.string	"Ne"
.LC11:
	.string	"Na"
.LC12:
	.string	"Mg"
.LC13:
	.string	"Al"
.LC14:
	.string	"Si"
.LC15:
	.string	"P"
.LC16:
	.string	"S"
.LC17:
	.string	"Cl"
.LC18:
	.string	"Ar"
.LC19:
	.string	"K"
.LC20:
	.string	"Ca"
.LC21:
	.string	"Sc"
.LC22:
	.string	"Ti"
.LC23:
	.string	"V"
.LC24:
	.string	"Cr"
.LC25:
	.string	"Mn"
.LC26:
	.string	"Fe"
.LC27:
	.string	"Co"
.LC28:
	.string	"Ni"
.LC29:
	.string	"Cu"
.LC30:
	.string	"Zn"
.LC31:
	.string	"Ga"
.LC32:
	.string	"Ge"
.LC33:
	.string	"As"
.LC34:
	.string	"Se"
.LC35:
	.string	"Br"
.LC36:
	.string	"Kr"
.LC37:
	.string	"Rb"
.LC38:
	.string	"Sr"
.LC39:
	.string	"Y"
.LC40:
	.string	"Zr"
.LC41:
	.string	"Nb"
.LC42:
	.string	"Mo"
.LC43:
	.string	"Tc"
.LC44:
	.string	"Ru"
.LC45:
	.string	"Rh"
.LC46:
	.string	"Pd"
.LC47:
	.string	"Ag"
.LC48:
	.string	"Cd"
.LC49:
	.string	"In"
.LC50:
	.string	"Sn"
.LC51:
	.string	"Sb"
.LC52:
	.string	"Te"
.LC53:
	.string	"I"
.LC54:
	.string	"Xe"
.LC55:
	.string	"Cs"
.LC56:
	.string	"Ba"
.LC57:
	.string	"La"
.LC58:
	.string	"Ce"
.LC59:
	.string	"Pr"
.LC60:
	.string	"Nd"
.LC61:
	.string	"Pm"
.LC62:
	.string	"Sm"
.LC63:
	.string	"Eu"
.LC64:
	.string	"Gd"
.LC65:
	.string	"Tb"
.LC66:
	.string	"Dy"
.LC67:
	.string	"Ho"
.LC68:
	.string	"Er"
.LC69:
	.string	"Tm"
.LC70:
	.string	"Yb"
.LC71:
	.string	"Lu"
.LC72:
	.string	"Hf"
.LC73:
	.string	"Ta"
.LC74:
	.string	"W"
.LC75:
	.string	"Re"
.LC76:
	.string	"Os"
.LC77:
	.string	"Ir"
.LC78:
	.string	"Pt"
.LC79:
	.string	"Au"
.LC80:
	.string	"Hg"
.LC81:
	.string	"Tl"
.LC82:
	.string	"Pb"
.LC83:
	.string	"Bi"
.LC84:
	.string	"Po"
.LC85:
	.string	"At"
.LC86:
	.string	"Rn"
.LC87:
	.string	"Fr"
.LC88:
	.string	"Ra"
.LC89:
	.string	"Ac"
.LC90:
	.string	"Th"
.LC91:
	.string	"Pa"
.LC92:
	.string	"U"
.LC93:
	.string	"Np"
.LC94:
	.string	"Pu"
.LC95:
	.string	"Am"
.LC96:
	.string	"Cm"
.LC97:
	.string	"Bk"
.LC98:
	.string	"Cf"
.LC99:
	.string	"Es"
.LC100:
	.string	"Fm"
.LC101:
	.string	"Md"
.LC102:
	.string	"No"
.LC103:
	.string	"Lr"
	.section	.data.rel.local,"aw"
	.align 32
	.type	element, @object
	.size	element, 832
element:
	.quad	.LC0
	.quad	.LC1
	.quad	.LC2
	.quad	.LC3
	.quad	.LC4
	.quad	.LC5
	.quad	.LC6
	.quad	.LC7
	.quad	.LC8
	.quad	.LC9
	.quad	.LC10
	.quad	.LC11
	.quad	.LC12
	.quad	.LC13
	.quad	.LC14
	.quad	.LC15
	.quad	.LC16
	.quad	.LC17
	.quad	.LC18
	.quad	.LC19
	.quad	.LC20
	.quad	.LC21
	.quad	.LC22
	.quad	.LC23
	.quad	.LC24
	.quad	.LC25
	.quad	.LC26
	.quad	.LC27
	.quad	.LC28
	.quad	.LC29
	.quad	.LC30
	.quad	.LC31
	.quad	.LC32
	.quad	.LC33
	.quad	.LC34
	.quad	.LC35
	.quad	.LC36
	.quad	.LC37
	.quad	.LC38
	.quad	.LC39
	.quad	.LC40
	.quad	.LC41
	.quad	.LC42
	.quad	.LC43
	.quad	.LC44
	.quad	.LC45
	.quad	.LC46
	.quad	.LC47
	.quad	.LC48
	.quad	.LC49
	.quad	.LC50
	.quad	.LC51
	.quad	.LC52
	.quad	.LC53
	.quad	.LC54
	.quad	.LC55
	.quad	.LC56
	.quad	.LC57
	.quad	.LC58
	.quad	.LC59
	.quad	.LC60
	.quad	.LC61
	.quad	.LC62
	.quad	.LC63
	.quad	.LC64
	.quad	.LC65
	.quad	.LC66
	.quad	.LC67
	.quad	.LC68
	.quad	.LC69
	.quad	.LC70
	.quad	.LC71
	.quad	.LC72
	.quad	.LC73
	.quad	.LC74
	.quad	.LC75
	.quad	.LC76
	.quad	.LC77
	.quad	.LC78
	.quad	.LC79
	.quad	.LC80
	.quad	.LC81
	.quad	.LC82
	.quad	.LC83
	.quad	.LC84
	.quad	.LC85
	.quad	.LC86
	.quad	.LC87
	.quad	.LC88
	.quad	.LC89
	.quad	.LC90
	.quad	.LC91
	.quad	.LC92
	.quad	.LC93
	.quad	.LC94
	.quad	.LC95
	.quad	.LC96
	.quad	.LC97
	.quad	.LC98
	.quad	.LC99
	.quad	.LC100
	.quad	.LC101
	.quad	.LC102
	.quad	.LC103
	.globl	has_geoconv
	.bss
	.align 4
	.type	has_geoconv, @object
	.size	has_geoconv, 4
has_geoconv:
	.zero	4
	.text
	.globl	read_line
	.type	read_line, @function
read_line:
.LFB6:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	sub	rsp, 32
	mov	QWORD PTR -24[rbp], rdi
	mov	DWORD PTR -12[rbp], 1
	mov	QWORD PTR -8[rbp], 0
	mov	eax, DWORD PTR -12[rbp]
	cdqe
	mov	rdi, rax
	call	malloc@PLT
	mov	QWORD PTR -8[rbp], rax
	mov	eax, DWORD PTR -12[rbp]
	cdqe
	lea	rdx, -1[rax]
	mov	rax, QWORD PTR -8[rbp]
	add	rax, rdx
	mov	BYTE PTR [rax], 0
.L6:
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	fgetc@PLT
	mov	BYTE PTR -13[rbp], al
	cmp	BYTE PTR -13[rbp], 10
	je	.L2
	cmp	BYTE PTR -13[rbp], 0
	je	.L2
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	feof@PLT
	test	eax, eax
	je	.L3
.L2:
	mov	rax, QWORD PTR -8[rbp]
	jmp	.L4
.L3:
	add	DWORD PTR -12[rbp], 1
	mov	eax, DWORD PTR -12[rbp]
	movsx	rdx, eax
	mov	rax, QWORD PTR -8[rbp]
	mov	rsi, rdx
	mov	rdi, rax
	call	realloc@PLT
	mov	QWORD PTR -8[rbp], rax
	mov	eax, DWORD PTR -12[rbp]
	cdqe
	lea	rdx, -2[rax]
	mov	rax, QWORD PTR -8[rbp]
	add	rdx, rax
	movzx	eax, BYTE PTR -13[rbp]
	mov	BYTE PTR [rdx], al
	mov	eax, DWORD PTR -12[rbp]
	cdqe
	lea	rdx, -1[rax]
	mov	rax, QWORD PTR -8[rbp]
	add	rax, rdx
	mov	BYTE PTR [rax], 0
	cmp	BYTE PTR -13[rbp], 10
	je	.L5
	cmp	BYTE PTR -13[rbp], 0
	je	.L5
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	feof@PLT
	test	eax, eax
	je	.L6
.L5:
	mov	rax, QWORD PTR -8[rbp]
.L4:
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE6:
	.size	read_line, .-read_line
	.globl	read_array
	.type	read_array, @function
read_array:
.LFB7:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	push	rbx
	sub	rsp, 56
	.cfi_offset 3, -24
	mov	QWORD PTR -40[rbp], rdi
	mov	DWORD PTR -44[rbp], esi
	mov	QWORD PTR -56[rbp], rdx
	mov	DWORD PTR -28[rbp], 0
	jmp	.L8
.L9:
	mov	rax, QWORD PTR -40[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -24[rbp], rax
	mov	eax, DWORD PTR -28[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	mov	rax, QWORD PTR -56[rbp]
	lea	rbx, [rdx+rax]
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	atof@PLT
	movq	rax, xmm0
	mov	QWORD PTR [rbx], rax
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	free@PLT
	add	DWORD PTR -28[rbp], 1
.L8:
	mov	eax, DWORD PTR -28[rbp]
	cmp	eax, DWORD PTR -44[rbp]
	jl	.L9
	nop
	nop
	mov	rbx, QWORD PTR -8[rbp]
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE7:
	.size	read_array, .-read_array
	.section	.rodata
.LC104:
	.string	"energy"
.LC105:
	.string	"max-force"
.LC106:
	.string	"rms-force"
	.text
	.globl	read_geoconv
	.type	read_geoconv, @function
read_geoconv:
.LFB8:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	sub	rsp, 64
	mov	QWORD PTR -24[rbp], rdi
	mov	DWORD PTR -28[rbp], esi
	mov	QWORD PTR -40[rbp], rdx
	mov	QWORD PTR -48[rbp], rcx
	mov	QWORD PTR -56[rbp], r8
	mov	DWORD PTR has_geoconv[rip], 1
	mov	DWORD PTR -12[rbp], 0
	jmp	.L11
.L15:
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -8[rbp], rax
	mov	rax, QWORD PTR -8[rbp]
	lea	rsi, .LC104[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L12
	mov	rdx, QWORD PTR -40[rbp]
	mov	ecx, DWORD PTR -28[rbp]
	mov	rax, QWORD PTR -24[rbp]
	mov	esi, ecx
	mov	rdi, rax
	call	read_array
	jmp	.L13
.L12:
	mov	rax, QWORD PTR -8[rbp]
	lea	rsi, .LC105[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L14
	mov	rdx, QWORD PTR -48[rbp]
	mov	ecx, DWORD PTR -28[rbp]
	mov	rax, QWORD PTR -24[rbp]
	mov	esi, ecx
	mov	rdi, rax
	call	read_array
	jmp	.L13
.L14:
	mov	rax, QWORD PTR -8[rbp]
	lea	rsi, .LC106[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L13
	mov	rdx, QWORD PTR -56[rbp]
	mov	ecx, DWORD PTR -28[rbp]
	mov	rax, QWORD PTR -24[rbp]
	mov	esi, ecx
	mov	rdi, rax
	call	read_array
.L13:
	mov	rax, QWORD PTR -8[rbp]
	mov	rdi, rax
	call	free@PLT
	add	DWORD PTR -12[rbp], 1
.L11:
	cmp	DWORD PTR -12[rbp], 2
	jle	.L15
	nop
	nop
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE8:
	.size	read_geoconv, .-read_geoconv
	.section	.rodata
.LC109:
	.string	"  %d\n"
.LC110:
	.string	"%s\n"
.LC111:
	.string	"%s %lf %lf %lf"
.LC112:
	.string	" %s   %f   %f   %f \n"
.LC113:
	.string	" <ENERGY>\n %f\n </ENERGY>\n"
.LC114:
	.string	" <RMS_GRAD>\n %f\n </RMS_GRAD>\n"
.LC115:
	.string	" <MAX_GRAD>\n %f\n </MAX_GRAD>\n"
	.align 8
.LC116:
	.string	"  <EDITABLE>\n  NO\n  </EDITABLE>\n  <END>\n"
	.text
	.globl	read_geometries
	.type	read_geometries, @function
read_geometries:
.LFB9:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	add	rsp, -128
	mov	QWORD PTR -88[rbp], rdi
	mov	QWORD PTR -96[rbp], rsi
	mov	DWORD PTR -100[rbp], edx
	mov	QWORD PTR -112[rbp], rcx
	mov	QWORD PTR -120[rbp], r8
	mov	QWORD PTR -128[rbp], r9
	mov	rax, QWORD PTR fs:40
	mov	QWORD PTR -8[rbp], rax
	xor	eax, eax
	movsd	xmm0, QWORD PTR .LC107[rip]
	movsd	QWORD PTR -32[rbp], xmm0
	cmp	DWORD PTR 16[rbp], 2
	jne	.L17
	movsd	xmm0, QWORD PTR .LC108[rip]
	movsd	QWORD PTR -32[rbp], xmm0
.L17:
	mov	DWORD PTR -68[rbp], 0
	jmp	.L18
.L22:
	mov	rax, QWORD PTR -88[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -24[rbp], rax
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	atoi@PLT
	mov	DWORD PTR -60[rbp], eax
	mov	edx, DWORD PTR -60[rbp]
	mov	rax, QWORD PTR -96[rbp]
	lea	rsi, .LC109[rip]
	mov	rdi, rax
	mov	eax, 0
	call	fprintf@PLT
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	free@PLT
	mov	rax, QWORD PTR -88[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -24[rbp], rax
	mov	rdx, QWORD PTR -24[rbp]
	mov	rax, QWORD PTR -96[rbp]
	lea	rsi, .LC110[rip]
	mov	rdi, rax
	mov	eax, 0
	call	fprintf@PLT
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	free@PLT
	mov	DWORD PTR -64[rbp], 0
	jmp	.L19
.L20:
	mov	rax, QWORD PTR -88[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -24[rbp], rax
	lea	rdi, -40[rbp]
	lea	rsi, -48[rbp]
	lea	rcx, -56[rbp]
	lea	rdx, -14[rbp]
	mov	rax, QWORD PTR -24[rbp]
	mov	r9, rdi
	mov	r8, rsi
	lea	rsi, .LC111[rip]
	mov	rdi, rax
	mov	eax, 0
	call	__isoc99_sscanf@PLT
	movsd	xmm0, QWORD PTR -40[rbp]
	movapd	xmm2, xmm0
	mulsd	xmm2, QWORD PTR -32[rbp]
	movsd	xmm0, QWORD PTR -48[rbp]
	movapd	xmm1, xmm0
	mulsd	xmm1, QWORD PTR -32[rbp]
	movsd	xmm0, QWORD PTR -56[rbp]
	mulsd	xmm0, QWORD PTR -32[rbp]
	movq	rcx, xmm0
	lea	rdx, -14[rbp]
	mov	rax, QWORD PTR -96[rbp]
	movq	xmm0, rcx
	lea	rsi, .LC112[rip]
	mov	rdi, rax
	mov	eax, 3
	call	fprintf@PLT
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	free@PLT
	add	DWORD PTR -64[rbp], 1
.L19:
	mov	eax, DWORD PTR -64[rbp]
	cmp	eax, DWORD PTR -60[rbp]
	jl	.L20
	mov	eax, DWORD PTR has_geoconv[rip]
	test	eax, eax
	je	.L21
	mov	eax, DWORD PTR -68[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	mov	rax, QWORD PTR -112[rbp]
	add	rax, rdx
	mov	rdx, QWORD PTR [rax]
	mov	rax, QWORD PTR -96[rbp]
	movq	xmm0, rdx
	lea	rsi, .LC113[rip]
	mov	rdi, rax
	mov	eax, 1
	call	fprintf@PLT
	mov	eax, DWORD PTR -68[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	mov	rax, QWORD PTR -120[rbp]
	add	rax, rdx
	mov	rdx, QWORD PTR [rax]
	mov	rax, QWORD PTR -96[rbp]
	movq	xmm0, rdx
	lea	rsi, .LC114[rip]
	mov	rdi, rax
	mov	eax, 1
	call	fprintf@PLT
	mov	eax, DWORD PTR -68[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	mov	rax, QWORD PTR -128[rbp]
	add	rax, rdx
	mov	rdx, QWORD PTR [rax]
	mov	rax, QWORD PTR -96[rbp]
	movq	xmm0, rdx
	lea	rsi, .LC115[rip]
	mov	rdi, rax
	mov	eax, 1
	call	fprintf@PLT
.L21:
	mov	rax, QWORD PTR -96[rbp]
	mov	rcx, rax
	mov	edx, 40
	mov	esi, 1
	lea	rdi, .LC116[rip]
	call	fwrite@PLT
	add	DWORD PTR -68[rbp], 1
.L18:
	mov	eax, DWORD PTR -68[rbp]
	cmp	eax, DWORD PTR -100[rbp]
	jl	.L22
	nop
	mov	rax, QWORD PTR -8[rbp]
	sub	rax, QWORD PTR fs:40
	je	.L23
	call	__stack_chk_fail@PLT
.L23:
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE9:
	.size	read_geometries, .-read_geometries
	.section	.rodata
.LC117:
	.string	"  %d\n\n"
.LC118:
	.string	"%s %d %d %lf %lf %lf"
.LC119:
	.string	"Q "
.LC120:
	.string	" %s  %f  %f  %f\n"
.LC121:
	.string	"<ATOM>\n"
.LC122:
	.string	" NAME=%s  NUMBER=%d\n"
	.align 8
.LC123:
	.string	"</ATOM>\n  <EDITABLE>\n  NO\n  </EDITABLE>\n"
	.text
	.globl	read_geometry
	.type	read_geometry, @function
read_geometry:
.LFB10:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	push	rbx
	sub	rsp, 120
	.cfi_offset 3, -24
	mov	QWORD PTR -104[rbp], rdi
	mov	QWORD PTR -112[rbp], rsi
	mov	DWORD PTR -116[rbp], edx
	mov	DWORD PTR -120[rbp], ecx
	mov	rax, QWORD PTR fs:40
	mov	QWORD PTR -24[rbp], rax
	xor	eax, eax
	movsd	xmm0, QWORD PTR .LC107[rip]
	movsd	QWORD PTR -56[rbp], xmm0
	cmp	DWORD PTR -120[rbp], 2
	jne	.L25
	movsd	xmm0, QWORD PTR .LC108[rip]
	movsd	QWORD PTR -56[rbp], xmm0
.L25:
	mov	eax, DWORD PTR -116[rbp]
	cdqe
	sal	rax, 3
	mov	rdi, rax
	call	malloc@PLT
	mov	QWORD PTR -48[rbp], rax
	mov	DWORD PTR -84[rbp], 0
	jmp	.L26
.L27:
	mov	eax, DWORD PTR -116[rbp]
	cdqe
	mov	edx, DWORD PTR -84[rbp]
	movsx	rdx, edx
	lea	rcx, 0[0+rdx*8]
	mov	rdx, QWORD PTR -48[rbp]
	lea	rbx, [rcx+rdx]
	mov	rdi, rax
	call	malloc@PLT
	mov	QWORD PTR [rbx], rax
	add	DWORD PTR -84[rbp], 1
.L26:
	mov	eax, DWORD PTR -84[rbp]
	cmp	eax, DWORD PTR -116[rbp]
	jl	.L27
	mov	eax, DWORD PTR -116[rbp]
	cdqe
	sal	rax, 2
	mov	rdi, rax
	call	malloc@PLT
	mov	QWORD PTR -40[rbp], rax
	mov	edx, DWORD PTR -116[rbp]
	mov	rax, QWORD PTR -112[rbp]
	lea	rsi, .LC117[rip]
	mov	rdi, rax
	mov	eax, 0
	call	fprintf@PLT
	mov	DWORD PTR -84[rbp], 0
	jmp	.L28
.L32:
	mov	rax, QWORD PTR -104[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -32[rbp], rax
	mov	eax, DWORD PTR -84[rbp]
	cdqe
	lea	rdx, 0[0+rax*4]
	mov	rax, QWORD PTR -40[rbp]
	lea	rcx, [rdx+rax]
	mov	eax, DWORD PTR -84[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	mov	rax, QWORD PTR -48[rbp]
	add	rax, rdx
	mov	rdx, QWORD PTR [rax]
	lea	r8, -80[rbp]
	lea	rdi, -88[rbp]
	mov	rax, QWORD PTR -32[rbp]
	lea	rsi, -64[rbp]
	push	rsi
	lea	rsi, -72[rbp]
	push	rsi
	mov	r9, r8
	mov	r8, rdi
	lea	rsi, .LC118[rip]
	mov	rdi, rax
	mov	eax, 0
	call	__isoc99_sscanf@PLT
	add	rsp, 16
	mov	eax, DWORD PTR -88[rbp]
	cmp	eax, 104
	jg	.L29
	mov	eax, DWORD PTR -88[rbp]
	test	eax, eax
	jns	.L30
.L29:
	movsd	xmm0, QWORD PTR -64[rbp]
	movapd	xmm2, xmm0
	mulsd	xmm2, QWORD PTR -56[rbp]
	movsd	xmm0, QWORD PTR -72[rbp]
	movapd	xmm1, xmm0
	mulsd	xmm1, QWORD PTR -56[rbp]
	movsd	xmm0, QWORD PTR -80[rbp]
	mulsd	xmm0, QWORD PTR -56[rbp]
	movq	rdx, xmm0
	mov	rax, QWORD PTR -112[rbp]
	movq	xmm0, rdx
	lea	rdx, .LC119[rip]
	lea	rsi, .LC120[rip]
	mov	rdi, rax
	mov	eax, 3
	call	fprintf@PLT
	jmp	.L31
.L30:
	movsd	xmm0, QWORD PTR -64[rbp]
	movapd	xmm2, xmm0
	mulsd	xmm2, QWORD PTR -56[rbp]
	movsd	xmm0, QWORD PTR -72[rbp]
	movapd	xmm1, xmm0
	mulsd	xmm1, QWORD PTR -56[rbp]
	movsd	xmm0, QWORD PTR -80[rbp]
	mulsd	xmm0, QWORD PTR -56[rbp]
	movq	rcx, xmm0
	mov	eax, DWORD PTR -88[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	lea	rax, element[rip]
	mov	rdx, QWORD PTR [rdx+rax]
	mov	rax, QWORD PTR -112[rbp]
	movq	xmm0, rcx
	lea	rsi, .LC120[rip]
	mov	rdi, rax
	mov	eax, 3
	call	fprintf@PLT
.L31:
	mov	rax, QWORD PTR -32[rbp]
	mov	rdi, rax
	call	free@PLT
	add	DWORD PTR -84[rbp], 1
.L28:
	mov	eax, DWORD PTR -84[rbp]
	cmp	eax, DWORD PTR -116[rbp]
	jl	.L32
	mov	rax, QWORD PTR -112[rbp]
	mov	rcx, rax
	mov	edx, 7
	mov	esi, 1
	lea	rdi, .LC121[rip]
	call	fwrite@PLT
	mov	DWORD PTR -84[rbp], 0
	jmp	.L33
.L34:
	mov	eax, DWORD PTR -84[rbp]
	cdqe
	lea	rdx, 0[0+rax*4]
	mov	rax, QWORD PTR -40[rbp]
	add	rax, rdx
	mov	ecx, DWORD PTR [rax]
	mov	eax, DWORD PTR -84[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	mov	rax, QWORD PTR -48[rbp]
	add	rax, rdx
	mov	rdx, QWORD PTR [rax]
	mov	rax, QWORD PTR -112[rbp]
	lea	rsi, .LC122[rip]
	mov	rdi, rax
	mov	eax, 0
	call	fprintf@PLT
	add	DWORD PTR -84[rbp], 1
.L33:
	mov	eax, DWORD PTR -84[rbp]
	cmp	eax, DWORD PTR -116[rbp]
	jl	.L34
	mov	rax, QWORD PTR -112[rbp]
	mov	rcx, rax
	mov	edx, 40
	mov	esi, 1
	lea	rdi, .LC123[rip]
	call	fwrite@PLT
	mov	DWORD PTR -84[rbp], 0
	jmp	.L35
.L36:
	mov	eax, DWORD PTR -84[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	mov	rax, QWORD PTR -48[rbp]
	add	rax, rdx
	mov	rax, QWORD PTR [rax]
	mov	rdi, rax
	call	free@PLT
	add	DWORD PTR -84[rbp], 1
.L35:
	mov	eax, DWORD PTR -84[rbp]
	cmp	eax, DWORD PTR -116[rbp]
	jl	.L36
	mov	rax, QWORD PTR -48[rbp]
	mov	rdi, rax
	call	free@PLT
	mov	rax, QWORD PTR -40[rbp]
	mov	rdi, rax
	call	free@PLT
	nop
	mov	rax, QWORD PTR -24[rbp]
	sub	rax, QWORD PTR fs:40
	je	.L37
	call	__stack_chk_fail@PLT
.L37:
	mov	rbx, QWORD PTR -8[rbp]
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE10:
	.size	read_geometry, .-read_geometry
	.globl	read_geom1
	.type	read_geom1, @function
read_geom1:
.LFB11:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	sub	rsp, 96
	mov	QWORD PTR -72[rbp], rdi
	mov	QWORD PTR -80[rbp], rsi
	mov	DWORD PTR -84[rbp], edx
	mov	rax, QWORD PTR fs:40
	mov	QWORD PTR -8[rbp], rax
	xor	eax, eax
	mov	edx, DWORD PTR -84[rbp]
	mov	rax, QWORD PTR -80[rbp]
	lea	rsi, .LC117[rip]
	mov	rdi, rax
	mov	eax, 0
	call	fprintf@PLT
	mov	DWORD PTR -52[rbp], 0
	jmp	.L39
.L40:
	mov	rax, QWORD PTR -72[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -24[rbp], rax
	lea	rdi, -32[rbp]
	lea	rsi, -40[rbp]
	lea	rcx, -48[rbp]
	lea	rdx, -14[rbp]
	mov	rax, QWORD PTR -24[rbp]
	mov	r9, rdi
	mov	r8, rsi
	lea	rsi, .LC111[rip]
	mov	rdi, rax
	mov	eax, 0
	call	__isoc99_sscanf@PLT
	movsd	xmm1, QWORD PTR -32[rbp]
	movsd	xmm0, QWORD PTR .LC108[rip]
	movapd	xmm2, xmm1
	mulsd	xmm2, xmm0
	movsd	xmm1, QWORD PTR -40[rbp]
	movsd	xmm0, QWORD PTR .LC108[rip]
	movapd	xmm3, xmm1
	mulsd	xmm3, xmm0
	movsd	xmm1, QWORD PTR -48[rbp]
	movsd	xmm0, QWORD PTR .LC108[rip]
	mulsd	xmm1, xmm0
	movq	rcx, xmm1
	lea	rdx, -14[rbp]
	mov	rax, QWORD PTR -80[rbp]
	movapd	xmm1, xmm3
	movq	xmm0, rcx
	lea	rsi, .LC112[rip]
	mov	rdi, rax
	mov	eax, 3
	call	fprintf@PLT
	mov	rax, QWORD PTR -24[rbp]
	mov	rdi, rax
	call	free@PLT
	add	DWORD PTR -52[rbp], 1
.L39:
	mov	eax, DWORD PTR -52[rbp]
	cmp	eax, DWORD PTR -84[rbp]
	jl	.L40
	nop
	mov	rax, QWORD PTR -8[rbp]
	sub	rax, QWORD PTR fs:40
	je	.L41
	call	__stack_chk_fail@PLT
.L41:
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE11:
	.size	read_geom1, .-read_geom1
	.section	.rodata
.LC124:
	.string	"  MULLIKEN_CHARGE = "
.LC125:
	.string	"  LOPROP_CHARGE = "
.LC126:
	.string	"%f\n"
.LC127:
	.string	"</ATOM>"
	.text
	.globl	read_charge
	.type	read_charge, @function
read_charge:
.LFB12:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	sub	rsp, 64
	mov	QWORD PTR -40[rbp], rdi
	mov	QWORD PTR -48[rbp], rsi
	mov	DWORD PTR -52[rbp], edx
	mov	DWORD PTR -56[rbp], ecx
	mov	rax, QWORD PTR -48[rbp]
	mov	rcx, rax
	mov	edx, 7
	mov	esi, 1
	lea	rdi, .LC121[rip]
	call	fwrite@PLT
	mov	DWORD PTR -20[rbp], 0
	jmp	.L43
.L46:
	mov	rax, QWORD PTR -40[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -16[rbp], rax
	mov	rax, QWORD PTR -16[rbp]
	mov	rdi, rax
	call	atof@PLT
	movq	rax, xmm0
	mov	QWORD PTR -8[rbp], rax
	cmp	DWORD PTR -56[rbp], 0
	je	.L44
	mov	rax, QWORD PTR -48[rbp]
	mov	rcx, rax
	mov	edx, 20
	mov	esi, 1
	lea	rdi, .LC124[rip]
	call	fwrite@PLT
	jmp	.L45
.L44:
	mov	rax, QWORD PTR -48[rbp]
	mov	rcx, rax
	mov	edx, 18
	mov	esi, 1
	lea	rdi, .LC125[rip]
	call	fwrite@PLT
.L45:
	mov	rdx, QWORD PTR -8[rbp]
	mov	rax, QWORD PTR -48[rbp]
	movq	xmm0, rdx
	lea	rsi, .LC126[rip]
	mov	rdi, rax
	mov	eax, 1
	call	fprintf@PLT
	mov	rax, QWORD PTR -16[rbp]
	mov	rdi, rax
	call	free@PLT
	add	DWORD PTR -20[rbp], 1
.L43:
	mov	eax, DWORD PTR -20[rbp]
	cmp	eax, DWORD PTR -52[rbp]
	jl	.L46
	mov	rax, QWORD PTR -48[rbp]
	mov	rcx, rax
	mov	edx, 7
	mov	esi, 1
	lea	rdi, .LC127[rip]
	call	fwrite@PLT
	nop
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE12:
	.size	read_charge, .-read_charge
	.section	.rodata
.LC128:
	.string	"<VIBRATION>\n"
.LC129:
	.string	" FREQ=%f  IR_INT=%f\n"
.LC130:
	.string	" %lf %lf %lf"
.LC131:
	.string	"  %f  %f  %f\n"
.LC132:
	.string	"</VIBRATION>\n"
	.text
	.globl	read_normod
	.type	read_normod, @function
read_normod:
.LFB13:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	sub	rsp, 96
	mov	QWORD PTR -56[rbp], rdi
	mov	QWORD PTR -64[rbp], rsi
	mov	DWORD PTR -68[rbp], edx
	mov	DWORD PTR -72[rbp], ecx
	mov	QWORD PTR -80[rbp], r8
	mov	QWORD PTR -88[rbp], r9
	mov	rax, QWORD PTR fs:40
	mov	QWORD PTR -8[rbp], rax
	xor	eax, eax
	mov	DWORD PTR -48[rbp], 0
	jmp	.L48
.L51:
	mov	rax, QWORD PTR -56[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -16[rbp], rax
	mov	rax, QWORD PTR -16[rbp]
	mov	rdi, rax
	call	free@PLT
	mov	rax, QWORD PTR -64[rbp]
	mov	rcx, rax
	mov	edx, 12
	mov	esi, 1
	lea	rdi, .LC128[rip]
	call	fwrite@PLT
	mov	eax, DWORD PTR -48[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	mov	rax, QWORD PTR -88[rbp]
	add	rax, rdx
	movsd	xmm0, QWORD PTR [rax]
	mov	eax, DWORD PTR -48[rbp]
	cdqe
	lea	rdx, 0[0+rax*8]
	mov	rax, QWORD PTR -80[rbp]
	add	rax, rdx
	mov	rdx, QWORD PTR [rax]
	mov	rax, QWORD PTR -64[rbp]
	movapd	xmm1, xmm0
	movq	xmm0, rdx
	lea	rsi, .LC129[rip]
	mov	rdi, rax
	mov	eax, 2
	call	fprintf@PLT
	mov	DWORD PTR -44[rbp], 0
	jmp	.L49
.L50:
	mov	rax, QWORD PTR -56[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -16[rbp], rax
	lea	rsi, -24[rbp]
	lea	rcx, -32[rbp]
	lea	rdx, -40[rbp]
	mov	rax, QWORD PTR -16[rbp]
	mov	r8, rsi
	lea	rsi, .LC130[rip]
	mov	rdi, rax
	mov	eax, 0
	call	__isoc99_sscanf@PLT
	movsd	xmm1, QWORD PTR -24[rbp]
	movsd	xmm0, QWORD PTR -32[rbp]
	mov	rdx, QWORD PTR -40[rbp]
	mov	rax, QWORD PTR -64[rbp]
	movapd	xmm2, xmm1
	movapd	xmm1, xmm0
	movq	xmm0, rdx
	lea	rsi, .LC131[rip]
	mov	rdi, rax
	mov	eax, 3
	call	fprintf@PLT
	mov	rax, QWORD PTR -16[rbp]
	mov	rdi, rax
	call	free@PLT
	add	DWORD PTR -44[rbp], 1
.L49:
	mov	eax, DWORD PTR -44[rbp]
	cmp	eax, DWORD PTR -68[rbp]
	jl	.L50
	mov	rax, QWORD PTR -64[rbp]
	mov	rcx, rax
	mov	edx, 13
	mov	esi, 1
	lea	rdi, .LC132[rip]
	call	fwrite@PLT
	add	DWORD PTR -48[rbp], 1
.L48:
	mov	eax, DWORD PTR -48[rbp]
	cmp	eax, DWORD PTR -72[rbp]
	jl	.L51
	nop
	mov	rax, QWORD PTR -8[rbp]
	sub	rax, QWORD PTR fs:40
	je	.L52
	call	__stack_chk_fail@PLT
.L52:
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE13:
	.size	read_normod, .-read_normod
	.section	.rodata
.LC133:
	.string	"MOLDEN FORMAT"
.LC134:
	.string	"N_GEO"
.LC135:
	.string	"N_ATOMS"
.LC136:
	.string	"NATOM"
.LC137:
	.string	"N_FREQ"
.LC138:
	.string	"GEOCONV"
.LC139:
	.string	"GEOMETRIES"
.LC140:
	.string	"XYZ"
.LC141:
	.string	"AU"
.LC142:
	.string	"ATOMS"
.LC143:
	.string	"FR-COORD"
.LC144:
	.string	"CHARGE"
.LC145:
	.string	"MULLIKEN"
.LC146:
	.string	"FREQ"
.LC147:
	.string	"INT"
.LC148:
	.string	"FR-NORM-COORD"
	.text
	.globl	convert_molden_to_luscus
	.type	convert_molden_to_luscus, @function
convert_molden_to_luscus:
.LFB14:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	sub	rsp, 80
	mov	QWORD PTR -72[rbp], rdi
	mov	QWORD PTR -80[rbp], rsi
	mov	DWORD PTR -52[rbp], 1
	mov	QWORD PTR -40[rbp], 0
	mov	QWORD PTR -32[rbp], 0
	mov	QWORD PTR -24[rbp], 0
	mov	QWORD PTR -16[rbp], 0
	mov	QWORD PTR -8[rbp], 0
	mov	rax, QWORD PTR -72[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -48[rbp], rax
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC133[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	jne	.L54
	mov	DWORD PTR -52[rbp], 0
.L54:
	mov	rax, QWORD PTR -48[rbp]
	mov	rdi, rax
	call	free@PLT
	cmp	DWORD PTR -52[rbp], 0
	je	.L76
	jmp	.L57
.L75:
	mov	rax, QWORD PTR -72[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -48[rbp], rax
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC134[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L58
	mov	rax, QWORD PTR -48[rbp]
	mov	rdi, rax
	call	free@PLT
	mov	rax, QWORD PTR -72[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -48[rbp], rax
	mov	rax, QWORD PTR -48[rbp]
	mov	rdi, rax
	call	atoi@PLT
	mov	DWORD PTR -64[rbp], eax
	cmp	DWORD PTR -64[rbp], 0
	je	.L59
	mov	eax, DWORD PTR -64[rbp]
	cdqe
	sal	rax, 3
	mov	rdi, rax
	call	malloc@PLT
	mov	QWORD PTR -40[rbp], rax
	mov	eax, DWORD PTR -64[rbp]
	cdqe
	sal	rax, 3
	mov	rdi, rax
	call	malloc@PLT
	mov	QWORD PTR -32[rbp], rax
	mov	eax, DWORD PTR -64[rbp]
	cdqe
	sal	rax, 3
	mov	rdi, rax
	call	malloc@PLT
	mov	QWORD PTR -24[rbp], rax
	jmp	.L59
.L58:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC135[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	jne	.L60
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC136[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L61
.L60:
	mov	rax, QWORD PTR -48[rbp]
	mov	rdi, rax
	call	free@PLT
	mov	rax, QWORD PTR -72[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -48[rbp], rax
	mov	rax, QWORD PTR -48[rbp]
	mov	rdi, rax
	call	atoi@PLT
	mov	DWORD PTR -56[rbp], eax
	jmp	.L59
.L61:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC137[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L62
	mov	rax, QWORD PTR -48[rbp]
	mov	rdi, rax
	call	free@PLT
	mov	rax, QWORD PTR -72[rbp]
	mov	rdi, rax
	call	read_line
	mov	QWORD PTR -48[rbp], rax
	mov	rax, QWORD PTR -48[rbp]
	mov	rdi, rax
	call	atoi@PLT
	mov	DWORD PTR -60[rbp], eax
	cmp	DWORD PTR -60[rbp], 0
	je	.L59
	mov	eax, DWORD PTR -60[rbp]
	cdqe
	sal	rax, 3
	mov	rdi, rax
	call	malloc@PLT
	mov	QWORD PTR -16[rbp], rax
	mov	eax, DWORD PTR -60[rbp]
	cdqe
	sal	rax, 3
	mov	rdi, rax
	call	malloc@PLT
	mov	QWORD PTR -8[rbp], rax
	jmp	.L59
.L62:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC138[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L63
	mov	rdi, QWORD PTR -24[rbp]
	mov	rcx, QWORD PTR -32[rbp]
	mov	rdx, QWORD PTR -40[rbp]
	mov	esi, DWORD PTR -64[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	r8, rdi
	mov	rdi, rax
	call	read_geoconv
	jmp	.L59
.L63:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC139[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L64
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC140[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L65
	mov	r8, QWORD PTR -24[rbp]
	mov	rdi, QWORD PTR -32[rbp]
	mov	rcx, QWORD PTR -40[rbp]
	mov	edx, DWORD PTR -64[rbp]
	mov	rsi, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	sub	rsp, 8
	push	1
	mov	r9, r8
	mov	r8, rdi
	mov	rdi, rax
	call	read_geometries
	add	rsp, 16
	jmp	.L59
.L65:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC141[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L66
	mov	r8, QWORD PTR -24[rbp]
	mov	rdi, QWORD PTR -32[rbp]
	mov	rcx, QWORD PTR -40[rbp]
	mov	edx, DWORD PTR -64[rbp]
	mov	rsi, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	sub	rsp, 8
	push	2
	mov	r9, r8
	mov	r8, rdi
	mov	rdi, rax
	call	read_geometries
	add	rsp, 16
	jmp	.L59
.L66:
	mov	r8, QWORD PTR -24[rbp]
	mov	rdi, QWORD PTR -32[rbp]
	mov	rcx, QWORD PTR -40[rbp]
	mov	edx, DWORD PTR -64[rbp]
	mov	rsi, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	sub	rsp, 8
	push	1
	mov	r9, r8
	mov	r8, rdi
	mov	rdi, rax
	call	read_geometries
	add	rsp, 16
	jmp	.L59
.L64:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC142[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L67
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC140[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L68
	mov	edx, DWORD PTR -56[rbp]
	mov	rsi, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	ecx, 1
	mov	rdi, rax
	call	read_geometry
	jmp	.L59
.L68:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC141[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L69
	mov	edx, DWORD PTR -56[rbp]
	mov	rsi, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	ecx, 2
	mov	rdi, rax
	call	read_geometry
	jmp	.L59
.L69:
	mov	edx, DWORD PTR -56[rbp]
	mov	rsi, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	ecx, 1
	mov	rdi, rax
	call	read_geometry
	jmp	.L59
.L67:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC143[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L70
	mov	edx, DWORD PTR -56[rbp]
	mov	rcx, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	rsi, rcx
	mov	rdi, rax
	call	read_geom1
	jmp	.L59
.L70:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC144[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L71
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC145[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L72
	mov	edx, DWORD PTR -56[rbp]
	mov	rsi, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	ecx, 1
	mov	rdi, rax
	call	read_charge
	jmp	.L59
.L72:
	mov	edx, DWORD PTR -56[rbp]
	mov	rsi, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	ecx, 0
	mov	rdi, rax
	call	read_charge
	jmp	.L59
.L71:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC146[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L73
	mov	rdx, QWORD PTR -16[rbp]
	mov	ecx, DWORD PTR -60[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	esi, ecx
	mov	rdi, rax
	call	read_array
	jmp	.L59
.L73:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC147[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L74
	mov	rdx, QWORD PTR -8[rbp]
	mov	ecx, DWORD PTR -60[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	esi, ecx
	mov	rdi, rax
	call	read_array
	jmp	.L59
.L74:
	mov	rax, QWORD PTR -48[rbp]
	lea	rsi, .LC148[rip]
	mov	rdi, rax
	call	strstr@PLT
	test	rax, rax
	je	.L59
	mov	r8, QWORD PTR -8[rbp]
	mov	rdi, QWORD PTR -16[rbp]
	mov	ecx, DWORD PTR -60[rbp]
	mov	edx, DWORD PTR -56[rbp]
	mov	rsi, QWORD PTR -80[rbp]
	mov	rax, QWORD PTR -72[rbp]
	mov	r9, r8
	mov	r8, rdi
	mov	rdi, rax
	call	read_normod
.L59:
	mov	rax, QWORD PTR -48[rbp]
	mov	rdi, rax
	call	free@PLT
.L57:
	mov	rax, QWORD PTR -72[rbp]
	mov	rdi, rax
	call	feof@PLT
	test	eax, eax
	je	.L75
	jmp	.L53
.L76:
	nop
.L53:
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE14:
	.size	convert_molden_to_luscus, .-convert_molden_to_luscus
	.section	.rodata
.LC149:
	.string	"--version"
.LC150:
	.string	"1.0.0"
.LC151:
	.string	"molden2lus version %s\n"
.LC152:
	.string	"r"
	.align 8
.LC153:
	.string	"ERROR: Can't open input file: %s\n"
.LC154:
	.string	"w"
	.align 8
.LC155:
	.string	"ERROR: Can't open output file: %s\n"
	.text
	.globl	main
	.type	main, @function
main:
.LFB15:
	.cfi_startproc
	endbr64
	push	rbp
	.cfi_def_cfa_offset 16
	.cfi_offset 6, -16
	mov	rbp, rsp
	.cfi_def_cfa_register 6
	sub	rsp, 1088
	mov	DWORD PTR -1076[rbp], edi
	mov	QWORD PTR -1088[rbp], rsi
	mov	rax, QWORD PTR fs:40
	mov	QWORD PTR -8[rbp], rax
	xor	eax, eax
	cmp	DWORD PTR -1076[rbp], 1
	jg	.L78
	mov	eax, 1
	jmp	.L87
.L78:
	mov	rax, QWORD PTR -1088[rbp]
	add	rax, 8
	mov	rax, QWORD PTR [rax]
	lea	rsi, .LC149[rip]
	mov	rdi, rax
	call	strcmp@PLT
	test	eax, eax
	jne	.L80
	lea	rsi, .LC150[rip]
	lea	rdi, .LC151[rip]
	mov	eax, 0
	call	printf@PLT
	mov	eax, 0
	jmp	.L87
.L80:
	mov	eax, DWORD PTR -1076[rbp]
	cdqe
	sal	rax, 3
	lea	rdx, -8[rax]
	mov	rax, QWORD PTR -1088[rbp]
	add	rax, rdx
	mov	rcx, QWORD PTR [rax]
	lea	rax, -1040[rbp]
	mov	edx, 1020
	mov	rsi, rcx
	mov	rdi, rax
	call	strncpy@PLT
	lea	rax, -1040[rbp]
	mov	rdi, rax
	call	strlen@PLT
	mov	DWORD PTR -1060[rbp], eax
	jmp	.L81
.L83:
	sub	DWORD PTR -1060[rbp], 1
.L81:
	cmp	DWORD PTR -1060[rbp], 0
	jle	.L82
	mov	eax, DWORD PTR -1060[rbp]
	cdqe
	movzx	eax, BYTE PTR -1040[rbp+rax]
	cmp	al, 46
	jne	.L83
.L82:
	cmp	DWORD PTR -1060[rbp], 0
	jne	.L84
	lea	rax, -1040[rbp]
	mov	rdi, rax
	call	strlen@PLT
	mov	DWORD PTR -1060[rbp], eax
.L84:
	mov	eax, DWORD PTR -1060[rbp]
	cdqe
	lea	rdx, -1040[rbp]
	add	rax, rdx
	mov	DWORD PTR [rax], 1937075246
	mov	eax, DWORD PTR -1060[rbp]
	add	eax, 4
	cdqe
	mov	BYTE PTR -1040[rbp+rax], 0
	mov	eax, DWORD PTR -1076[rbp]
	cdqe
	sal	rax, 3
	lea	rdx, -8[rax]
	mov	rax, QWORD PTR -1088[rbp]
	add	rax, rdx
	mov	rax, QWORD PTR [rax]
	lea	rsi, .LC152[rip]
	mov	rdi, rax
	call	fopen@PLT
	mov	QWORD PTR -1056[rbp], rax
	cmp	QWORD PTR -1056[rbp], 0
	jne	.L85
	mov	eax, DWORD PTR -1076[rbp]
	cdqe
	sal	rax, 3
	lea	rdx, -8[rax]
	mov	rax, QWORD PTR -1088[rbp]
	add	rax, rdx
	mov	rdx, QWORD PTR [rax]
	mov	rax, QWORD PTR stderr[rip]
	lea	rsi, .LC153[rip]
	mov	rdi, rax
	mov	eax, 0
	call	fprintf@PLT
	mov	eax, 1
	jmp	.L87
.L85:
	lea	rax, -1040[rbp]
	lea	rsi, .LC154[rip]
	mov	rdi, rax
	call	fopen@PLT
	mov	QWORD PTR -1048[rbp], rax
	cmp	QWORD PTR -1048[rbp], 0
	jne	.L86
	mov	rax, QWORD PTR stderr[rip]
	lea	rdx, -1040[rbp]
	lea	rsi, .LC155[rip]
	mov	rdi, rax
	mov	eax, 0
	call	fprintf@PLT
	mov	eax, 1
	jmp	.L87
.L86:
	mov	rdx, QWORD PTR -1048[rbp]
	mov	rax, QWORD PTR -1056[rbp]
	mov	rsi, rdx
	mov	rdi, rax
	call	convert_molden_to_luscus
	mov	eax, 0
.L87:
	mov	rcx, QWORD PTR -8[rbp]
	sub	rcx, QWORD PTR fs:40
	je	.L88
	call	__stack_chk_fail@PLT
.L88:
	leave
	.cfi_def_cfa 7, 8
	ret
	.cfi_endproc
.LFE15:
	.size	main, .-main
	.section	.rodata
	.align 8
.LC107:
	.long	0
	.long	1072693248
	.align 8
.LC108:
	.long	541573248
	.long	1071705861
	.ident	"GCC: (Ubuntu 10.5.0-1ubuntu1~20.04) 10.5.0"
	.section	.note.GNU-stack,"",@progbits
	.section	.note.gnu.property,"a"
	.align 8
	.long	 1f - 0f
	.long	 4f - 1f
	.long	 5
0:
	.string	 "GNU"
1:
	.align 8
	.long	 0xc0000002
	.long	 3f - 2f
2:
	.long	 0x3
3:
	.align 8
4:

	.arch armv5t
	.eabi_attribute 20, 1
	.eabi_attribute 21, 1
	.eabi_attribute 23, 3
	.eabi_attribute 24, 1
	.eabi_attribute 25, 1
	.eabi_attribute 26, 2
	.eabi_attribute 30, 6
	.eabi_attribute 34, 0
	.eabi_attribute 18, 4
	.file	"181392839.c"
	.text
	.global	element
	.section	.rodata
	.align	2
.LC0:
	.ascii	" \000"
	.align	2
.LC1:
	.ascii	"H\000"
	.align	2
.LC2:
	.ascii	"He\000"
	.align	2
.LC3:
	.ascii	"Li\000"
	.align	2
.LC4:
	.ascii	"Be\000"
	.align	2
.LC5:
	.ascii	"B\000"
	.align	2
.LC6:
	.ascii	"C\000"
	.align	2
.LC7:
	.ascii	"N\000"
	.align	2
.LC8:
	.ascii	"O\000"
	.align	2
.LC9:
	.ascii	"F\000"
	.align	2
.LC10:
	.ascii	"Ne\000"
	.align	2
.LC11:
	.ascii	"Na\000"
	.align	2
.LC12:
	.ascii	"Mg\000"
	.align	2
.LC13:
	.ascii	"Al\000"
	.align	2
.LC14:
	.ascii	"Si\000"
	.align	2
.LC15:
	.ascii	"P\000"
	.align	2
.LC16:
	.ascii	"S\000"
	.align	2
.LC17:
	.ascii	"Cl\000"
	.align	2
.LC18:
	.ascii	"Ar\000"
	.align	2
.LC19:
	.ascii	"K\000"
	.align	2
.LC20:
	.ascii	"Ca\000"
	.align	2
.LC21:
	.ascii	"Sc\000"
	.align	2
.LC22:
	.ascii	"Ti\000"
	.align	2
.LC23:
	.ascii	"V\000"
	.align	2
.LC24:
	.ascii	"Cr\000"
	.align	2
.LC25:
	.ascii	"Mn\000"
	.align	2
.LC26:
	.ascii	"Fe\000"
	.align	2
.LC27:
	.ascii	"Co\000"
	.align	2
.LC28:
	.ascii	"Ni\000"
	.align	2
.LC29:
	.ascii	"Cu\000"
	.align	2
.LC30:
	.ascii	"Zn\000"
	.align	2
.LC31:
	.ascii	"Ga\000"
	.align	2
.LC32:
	.ascii	"Ge\000"
	.align	2
.LC33:
	.ascii	"As\000"
	.align	2
.LC34:
	.ascii	"Se\000"
	.align	2
.LC35:
	.ascii	"Br\000"
	.align	2
.LC36:
	.ascii	"Kr\000"
	.align	2
.LC37:
	.ascii	"Rb\000"
	.align	2
.LC38:
	.ascii	"Sr\000"
	.align	2
.LC39:
	.ascii	"Y\000"
	.align	2
.LC40:
	.ascii	"Zr\000"
	.align	2
.LC41:
	.ascii	"Nb\000"
	.align	2
.LC42:
	.ascii	"Mo\000"
	.align	2
.LC43:
	.ascii	"Tc\000"
	.align	2
.LC44:
	.ascii	"Ru\000"
	.align	2
.LC45:
	.ascii	"Rh\000"
	.align	2
.LC46:
	.ascii	"Pd\000"
	.align	2
.LC47:
	.ascii	"Ag\000"
	.align	2
.LC48:
	.ascii	"Cd\000"
	.align	2
.LC49:
	.ascii	"In\000"
	.align	2
.LC50:
	.ascii	"Sn\000"
	.align	2
.LC51:
	.ascii	"Sb\000"
	.align	2
.LC52:
	.ascii	"Te\000"
	.align	2
.LC53:
	.ascii	"I\000"
	.align	2
.LC54:
	.ascii	"Xe\000"
	.align	2
.LC55:
	.ascii	"Cs\000"
	.align	2
.LC56:
	.ascii	"Ba\000"
	.align	2
.LC57:
	.ascii	"La\000"
	.align	2
.LC58:
	.ascii	"Ce\000"
	.align	2
.LC59:
	.ascii	"Pr\000"
	.align	2
.LC60:
	.ascii	"Nd\000"
	.align	2
.LC61:
	.ascii	"Pm\000"
	.align	2
.LC62:
	.ascii	"Sm\000"
	.align	2
.LC63:
	.ascii	"Eu\000"
	.align	2
.LC64:
	.ascii	"Gd\000"
	.align	2
.LC65:
	.ascii	"Tb\000"
	.align	2
.LC66:
	.ascii	"Dy\000"
	.align	2
.LC67:
	.ascii	"Ho\000"
	.align	2
.LC68:
	.ascii	"Er\000"
	.align	2
.LC69:
	.ascii	"Tm\000"
	.align	2
.LC70:
	.ascii	"Yb\000"
	.align	2
.LC71:
	.ascii	"Lu\000"
	.align	2
.LC72:
	.ascii	"Hf\000"
	.align	2
.LC73:
	.ascii	"Ta\000"
	.align	2
.LC74:
	.ascii	"W\000"
	.align	2
.LC75:
	.ascii	"Re\000"
	.align	2
.LC76:
	.ascii	"Os\000"
	.align	2
.LC77:
	.ascii	"Ir\000"
	.align	2
.LC78:
	.ascii	"Pt\000"
	.align	2
.LC79:
	.ascii	"Au\000"
	.align	2
.LC80:
	.ascii	"Hg\000"
	.align	2
.LC81:
	.ascii	"Tl\000"
	.align	2
.LC82:
	.ascii	"Pb\000"
	.align	2
.LC83:
	.ascii	"Bi\000"
	.align	2
.LC84:
	.ascii	"Po\000"
	.align	2
.LC85:
	.ascii	"At\000"
	.align	2
.LC86:
	.ascii	"Rn\000"
	.align	2
.LC87:
	.ascii	"Fr\000"
	.align	2
.LC88:
	.ascii	"Ra\000"
	.align	2
.LC89:
	.ascii	"Ac\000"
	.align	2
.LC90:
	.ascii	"Th\000"
	.align	2
.LC91:
	.ascii	"Pa\000"
	.align	2
.LC92:
	.ascii	"U\000"
	.align	2
.LC93:
	.ascii	"Np\000"
	.align	2
.LC94:
	.ascii	"Pu\000"
	.align	2
.LC95:
	.ascii	"Am\000"
	.align	2
.LC96:
	.ascii	"Cm\000"
	.align	2
.LC97:
	.ascii	"Bk\000"
	.align	2
.LC98:
	.ascii	"Cf\000"
	.align	2
.LC99:
	.ascii	"Es\000"
	.align	2
.LC100:
	.ascii	"Fm\000"
	.align	2
.LC101:
	.ascii	"Md\000"
	.align	2
.LC102:
	.ascii	"No\000"
	.align	2
.LC103:
	.ascii	"Lr\000"
	.data
	.align	2
	.type	element, %object
	.size	element, 416
element:
	.word	.LC0
	.word	.LC1
	.word	.LC2
	.word	.LC3
	.word	.LC4
	.word	.LC5
	.word	.LC6
	.word	.LC7
	.word	.LC8
	.word	.LC9
	.word	.LC10
	.word	.LC11
	.word	.LC12
	.word	.LC13
	.word	.LC14
	.word	.LC15
	.word	.LC16
	.word	.LC17
	.word	.LC18
	.word	.LC19
	.word	.LC20
	.word	.LC21
	.word	.LC22
	.word	.LC23
	.word	.LC24
	.word	.LC25
	.word	.LC26
	.word	.LC27
	.word	.LC28
	.word	.LC29
	.word	.LC30
	.word	.LC31
	.word	.LC32
	.word	.LC33
	.word	.LC34
	.word	.LC35
	.word	.LC36
	.word	.LC37
	.word	.LC38
	.word	.LC39
	.word	.LC40
	.word	.LC41
	.word	.LC42
	.word	.LC43
	.word	.LC44
	.word	.LC45
	.word	.LC46
	.word	.LC47
	.word	.LC48
	.word	.LC49
	.word	.LC50
	.word	.LC51
	.word	.LC52
	.word	.LC53
	.word	.LC54
	.word	.LC55
	.word	.LC56
	.word	.LC57
	.word	.LC58
	.word	.LC59
	.word	.LC60
	.word	.LC61
	.word	.LC62
	.word	.LC63
	.word	.LC64
	.word	.LC65
	.word	.LC66
	.word	.LC67
	.word	.LC68
	.word	.LC69
	.word	.LC70
	.word	.LC71
	.word	.LC72
	.word	.LC73
	.word	.LC74
	.word	.LC75
	.word	.LC76
	.word	.LC77
	.word	.LC78
	.word	.LC79
	.word	.LC80
	.word	.LC81
	.word	.LC82
	.word	.LC83
	.word	.LC84
	.word	.LC85
	.word	.LC86
	.word	.LC87
	.word	.LC88
	.word	.LC89
	.word	.LC90
	.word	.LC91
	.word	.LC92
	.word	.LC93
	.word	.LC94
	.word	.LC95
	.word	.LC96
	.word	.LC97
	.word	.LC98
	.word	.LC99
	.word	.LC100
	.word	.LC101
	.word	.LC102
	.word	.LC103
	.global	has_geoconv
	.bss
	.align	2
	.type	has_geoconv, %object
	.size	has_geoconv, 4
has_geoconv:
	.space	4
	.text
	.align	2
	.global	read_line
	.syntax unified
	.arm
	.fpu softvfp
	.type	read_line, %function
read_line:
	@ args = 0, pretend = 0, frame = 24
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{fp, lr}
	add	fp, sp, #4
	sub	sp, sp, #24
	str	r0, [fp, #-24]
	mov	r3, #1
	str	r3, [fp, #-12]
	mov	r3, #0
	str	r3, [fp, #-8]
	ldr	r3, [fp, #-12]
	mov	r0, r3
	bl	malloc
	mov	r3, r0
	str	r3, [fp, #-8]
	ldr	r3, [fp, #-12]
	sub	r3, r3, #1
	ldr	r2, [fp, #-8]
	add	r3, r2, r3
	mov	r2, #0
	strb	r2, [r3]
.L6:
	ldr	r0, [fp, #-24]
	bl	fgetc
	mov	r3, r0
	strb	r3, [fp, #-13]
	ldrb	r3, [fp, #-13]	@ zero_extendqisi2
	cmp	r3, #10
	beq	.L2
	ldrb	r3, [fp, #-13]	@ zero_extendqisi2
	cmp	r3, #0
	beq	.L2
	ldr	r0, [fp, #-24]
	bl	feof
	mov	r3, r0
	cmp	r3, #0
	beq	.L3
.L2:
	ldr	r3, [fp, #-8]
	b	.L4
.L3:
	ldr	r3, [fp, #-12]
	add	r3, r3, #1
	str	r3, [fp, #-12]
	ldr	r3, [fp, #-12]
	mov	r1, r3
	ldr	r0, [fp, #-8]
	bl	realloc
	str	r0, [fp, #-8]
	ldr	r3, [fp, #-12]
	sub	r3, r3, #2
	ldr	r2, [fp, #-8]
	add	r3, r2, r3
	ldrb	r2, [fp, #-13]
	strb	r2, [r3]
	ldr	r3, [fp, #-12]
	sub	r3, r3, #1
	ldr	r2, [fp, #-8]
	add	r3, r2, r3
	mov	r2, #0
	strb	r2, [r3]
	ldrb	r3, [fp, #-13]	@ zero_extendqisi2
	cmp	r3, #10
	beq	.L5
	ldrb	r3, [fp, #-13]	@ zero_extendqisi2
	cmp	r3, #0
	beq	.L5
	ldr	r0, [fp, #-24]
	bl	feof
	mov	r3, r0
	cmp	r3, #0
	beq	.L6
.L5:
	ldr	r3, [fp, #-8]
.L4:
	mov	r0, r3
	sub	sp, fp, #4
	@ sp needed
	pop	{fp, pc}
	.size	read_line, .-read_line
	.align	2
	.global	read_array
	.syntax unified
	.arm
	.fpu softvfp
	.type	read_array, %function
read_array:
	@ args = 0, pretend = 0, frame = 24
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{r4, fp, lr}
	add	fp, sp, #8
	sub	sp, sp, #28
	str	r0, [fp, #-24]
	str	r1, [fp, #-28]
	str	r2, [fp, #-32]
	mov	r3, #0
	str	r3, [fp, #-20]
	b	.L8
.L9:
	ldr	r0, [fp, #-24]
	bl	read_line
	str	r0, [fp, #-16]
	ldr	r3, [fp, #-20]
	lsl	r3, r3, #3
	ldr	r2, [fp, #-32]
	add	r4, r2, r3
	ldr	r0, [fp, #-16]
	bl	atof
	mov	r2, r0
	mov	r3, r1
	stm	r4, {r2-r3}
	ldr	r0, [fp, #-16]
	bl	free
	ldr	r3, [fp, #-20]
	add	r3, r3, #1
	str	r3, [fp, #-20]
.L8:
	ldr	r2, [fp, #-20]
	ldr	r3, [fp, #-28]
	cmp	r2, r3
	blt	.L9
	nop
	nop
	sub	sp, fp, #8
	@ sp needed
	pop	{r4, fp, pc}
	.size	read_array, .-read_array
	.section	.rodata
	.align	2
.LC104:
	.ascii	"energy\000"
	.align	2
.LC105:
	.ascii	"max-force\000"
	.align	2
.LC106:
	.ascii	"rms-force\000"
	.text
	.align	2
	.global	read_geoconv
	.syntax unified
	.arm
	.fpu softvfp
	.type	read_geoconv, %function
read_geoconv:
	@ args = 4, pretend = 0, frame = 24
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{fp, lr}
	add	fp, sp, #4
	sub	sp, sp, #24
	str	r0, [fp, #-16]
	str	r1, [fp, #-20]
	str	r2, [fp, #-24]
	str	r3, [fp, #-28]
	ldr	r3, .L16
	mov	r2, #1
	str	r2, [r3]
	mov	r3, #0
	str	r3, [fp, #-12]
	b	.L11
.L15:
	ldr	r0, [fp, #-16]
	bl	read_line
	str	r0, [fp, #-8]
	ldr	r1, .L16+4
	ldr	r0, [fp, #-8]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L12
	ldr	r2, [fp, #-24]
	ldr	r1, [fp, #-20]
	ldr	r0, [fp, #-16]
	bl	read_array
	b	.L13
.L12:
	ldr	r1, .L16+8
	ldr	r0, [fp, #-8]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L14
	ldr	r2, [fp, #-28]
	ldr	r1, [fp, #-20]
	ldr	r0, [fp, #-16]
	bl	read_array
	b	.L13
.L14:
	ldr	r1, .L16+12
	ldr	r0, [fp, #-8]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L13
	ldr	r2, [fp, #4]
	ldr	r1, [fp, #-20]
	ldr	r0, [fp, #-16]
	bl	read_array
.L13:
	ldr	r0, [fp, #-8]
	bl	free
	ldr	r3, [fp, #-12]
	add	r3, r3, #1
	str	r3, [fp, #-12]
.L11:
	ldr	r3, [fp, #-12]
	cmp	r3, #2
	ble	.L15
	nop
	nop
	sub	sp, fp, #4
	@ sp needed
	pop	{fp, pc}
.L17:
	.align	2
.L16:
	.word	has_geoconv
	.word	.LC104
	.word	.LC105
	.word	.LC106
	.size	read_geoconv, .-read_geoconv
	.section	.rodata
	.align	2
.LC107:
	.ascii	"  %d\012\000"
	.align	2
.LC108:
	.ascii	"%s\012\000"
	.align	2
.LC109:
	.ascii	"%s %lf %lf %lf\000"
	.global	__aeabi_dmul
	.align	2
.LC110:
	.ascii	" %s   %f   %f   %f \012\000"
	.align	2
.LC111:
	.ascii	" <ENERGY>\012 %f\012 </ENERGY>\012\000"
	.align	2
.LC112:
	.ascii	" <RMS_GRAD>\012 %f\012 </RMS_GRAD>\012\000"
	.align	2
.LC113:
	.ascii	" <MAX_GRAD>\012 %f\012 </MAX_GRAD>\012\000"
	.align	2
.LC114:
	.ascii	"  <EDITABLE>\012  NO\012  </EDITABLE>\012  <END>\012"
	.ascii	"\000"
	.align	2
.LC115:
	.word	__stack_chk_guard
	.text
	.align	2
	.global	read_geometries
	.syntax unified
	.arm
	.fpu softvfp
	.type	read_geometries, %function
read_geometries:
	@ args = 12, pretend = 0, frame = 88
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{r4, r5, r6, r7, fp, lr}
	add	fp, sp, #20
	sub	sp, sp, #112
	str	r0, [fp, #-88]
	str	r1, [fp, #-92]
	str	r2, [fp, #-96]
	str	r3, [fp, #-100]
	ldr	r3, [fp, #4]
	str	r3, [fp, #-104]
	ldr	r3, [fp, #8]
	str	r3, [fp, #-108]
	ldr	r3, .L26
	ldr	r3, [r3]
	str	r3, [fp, #-24]
	mov	r3,#0
	mov	r2, #0
	ldr	r3, .L26+4
	str	r2, [fp, #-44]
	str	r3, [fp, #-40]
	ldr	r3, [fp, #12]
	cmp	r3, #2
	bne	.L19
	ldr	r2, .L26+8
	ldr	r3, .L26+12
	str	r2, [fp, #-44]
	str	r3, [fp, #-40]
.L19:
	mov	r3, #0
	str	r3, [fp, #-84]
	b	.L20
.L24:
	ldr	r0, [fp, #-88]
	bl	read_line
	str	r0, [fp, #-76]
	ldr	r0, [fp, #-76]
	bl	atoi
	str	r0, [fp, #-72]
	ldr	r2, [fp, #-72]
	ldr	r1, .L26+16
	ldr	r0, [fp, #-92]
	bl	fprintf
	ldr	r0, [fp, #-76]
	bl	free
	ldr	r0, [fp, #-88]
	bl	read_line
	str	r0, [fp, #-76]
	ldr	r2, [fp, #-76]
	ldr	r1, .L26+20
	ldr	r0, [fp, #-92]
	bl	fprintf
	ldr	r0, [fp, #-76]
	bl	free
	mov	r3, #0
	str	r3, [fp, #-80]
	b	.L21
.L22:
	ldr	r0, [fp, #-88]
	bl	read_line
	str	r0, [fp, #-76]
	sub	r1, fp, #68
	sub	r2, fp, #32
	sub	r3, fp, #52
	str	r3, [sp, #4]
	sub	r3, fp, #60
	str	r3, [sp]
	mov	r3, r1
	ldr	r1, .L26+24
	ldr	r0, [fp, #-76]
	bl	__isoc99_sscanf
	sub	r1, fp, #68
	ldmia	r1, {r0-r1}
	sub	r3, fp, #44
	ldmia	r3, {r2-r3}
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	mov	r4, r2
	mov	r5, r3
	sub	r1, fp, #60
	ldmia	r1, {r0-r1}
	sub	r3, fp, #44
	ldmia	r3, {r2-r3}
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	mov	r6, r2
	mov	r7, r3
	sub	r1, fp, #52
	ldmia	r1, {r0-r1}
	sub	r3, fp, #44
	ldmia	r3, {r2-r3}
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	sub	r1, fp, #32
	str	r2, [sp, #16]
	str	r3, [sp, #20]
	str	r6, [sp, #8]
	str	r7, [sp, #12]
	stm	sp, {r4-r5}
	mov	r2, r1
	ldr	r1, .L26+28
	ldr	r0, [fp, #-92]
	bl	fprintf
	ldr	r0, [fp, #-76]
	bl	free
	ldr	r3, [fp, #-80]
	add	r3, r3, #1
	str	r3, [fp, #-80]
.L21:
	ldr	r2, [fp, #-80]
	ldr	r3, [fp, #-72]
	cmp	r2, r3
	blt	.L22
	ldr	r3, .L26+32
	ldr	r3, [r3]
	cmp	r3, #0
	beq	.L23
	ldr	r3, [fp, #-84]
	lsl	r3, r3, #3
	ldr	r2, [fp, #-100]
	add	r3, r2, r3
	ldmia	r3, {r2-r3}
	ldr	r1, .L26+36
	ldr	r0, [fp, #-92]
	bl	fprintf
	ldr	r3, [fp, #-84]
	lsl	r3, r3, #3
	ldr	r2, [fp, #-104]
	add	r3, r2, r3
	ldmia	r3, {r2-r3}
	ldr	r1, .L26+40
	ldr	r0, [fp, #-92]
	bl	fprintf
	ldr	r3, [fp, #-84]
	lsl	r3, r3, #3
	ldr	r2, [fp, #-108]
	add	r3, r2, r3
	ldmia	r3, {r2-r3}
	ldr	r1, .L26+44
	ldr	r0, [fp, #-92]
	bl	fprintf
.L23:
	ldr	r3, [fp, #-92]
	mov	r2, #40
	mov	r1, #1
	ldr	r0, .L26+48
	bl	fwrite
	ldr	r3, [fp, #-84]
	add	r3, r3, #1
	str	r3, [fp, #-84]
.L20:
	ldr	r2, [fp, #-84]
	ldr	r3, [fp, #-96]
	cmp	r2, r3
	blt	.L24
	nop
	ldr	r3, .L26
	ldr	r2, [r3]
	ldr	r3, [fp, #-24]
	eors	r2, r3, r2
	mov	r3, #0
	beq	.L25
	bl	__stack_chk_fail
.L25:
	sub	sp, fp, #20
	@ sp needed
	pop	{r4, r5, r6, r7, fp, pc}
.L27:
	.align	2
.L26:
	.word	.LC115
	.word	1072693248
	.word	541573248
	.word	1071705861
	.word	.LC107
	.word	.LC108
	.word	.LC109
	.word	.LC110
	.word	has_geoconv
	.word	.LC111
	.word	.LC112
	.word	.LC113
	.word	.LC114
	.size	read_geometries, .-read_geometries
	.section	.rodata
	.align	2
.LC116:
	.ascii	"  %d\012\012\000"
	.align	2
.LC117:
	.ascii	"%s %d %d %lf %lf %lf\000"
	.align	2
.LC118:
	.ascii	"Q \000"
	.align	2
.LC119:
	.ascii	" %s  %f  %f  %f\012\000"
	.align	2
.LC120:
	.ascii	"<ATOM>\012\000"
	.align	2
.LC121:
	.ascii	" NAME=%s  NUMBER=%d\012\000"
	.align	2
.LC122:
	.ascii	"</ATOM>\012  <EDITABLE>\012  NO\012  </EDITABLE>\012"
	.ascii	"\000"
	.align	2
.LC123:
	.word	__stack_chk_guard
	.text
	.align	2
	.global	read_geometry
	.syntax unified
	.arm
	.fpu softvfp
	.type	read_geometry, %function
read_geometry:
	@ args = 0, pretend = 0, frame = 80
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{r4, r5, r6, r7, r8, fp, lr}
	add	fp, sp, #24
	sub	sp, sp, #108
	str	r0, [fp, #-96]
	str	r1, [fp, #-100]
	str	r2, [fp, #-104]
	str	r3, [fp, #-108]
	ldr	r3, .L42
	ldr	r3, [r3]
	str	r3, [fp, #-32]
	mov	r3,#0
	mov	r2, #0
	ldr	r3, .L42+4
	str	r2, [fp, #-44]
	str	r3, [fp, #-40]
	ldr	r3, [fp, #-108]
	cmp	r3, #2
	bne	.L29
	ldr	r2, .L42+8
	ldr	r3, .L42+12
	str	r2, [fp, #-44]
	str	r3, [fp, #-40]
.L29:
	ldr	r3, [fp, #-104]
	lsl	r3, r3, #2
	mov	r0, r3
	bl	malloc
	mov	r3, r0
	str	r3, [fp, #-80]
	mov	r3, #0
	str	r3, [fp, #-84]
	b	.L30
.L31:
	ldr	r1, [fp, #-104]
	ldr	r3, [fp, #-84]
	lsl	r3, r3, #2
	ldr	r2, [fp, #-80]
	add	r4, r2, r3
	mov	r0, r1
	bl	malloc
	mov	r3, r0
	str	r3, [r4]
	ldr	r3, [fp, #-84]
	add	r3, r3, #1
	str	r3, [fp, #-84]
.L30:
	ldr	r2, [fp, #-84]
	ldr	r3, [fp, #-104]
	cmp	r2, r3
	blt	.L31
	ldr	r3, [fp, #-104]
	lsl	r3, r3, #2
	mov	r0, r3
	bl	malloc
	mov	r3, r0
	str	r3, [fp, #-76]
	ldr	r2, [fp, #-104]
	ldr	r1, .L42+16
	ldr	r0, [fp, #-100]
	bl	fprintf
	mov	r3, #0
	str	r3, [fp, #-84]
	b	.L32
.L36:
	ldr	r0, [fp, #-96]
	bl	read_line
	str	r0, [fp, #-72]
	ldr	r3, [fp, #-84]
	lsl	r3, r3, #2
	ldr	r2, [fp, #-80]
	add	r3, r2, r3
	ldr	r1, [r3]
	ldr	r3, [fp, #-84]
	lsl	r3, r3, #2
	ldr	r2, [fp, #-76]
	add	r2, r2, r3
	sub	r3, fp, #52
	str	r3, [sp, #12]
	sub	r3, fp, #60
	str	r3, [sp, #8]
	sub	r3, fp, #68
	str	r3, [sp, #4]
	sub	r3, fp, #88
	str	r3, [sp]
	mov	r3, r2
	mov	r2, r1
	ldr	r1, .L42+20
	ldr	r0, [fp, #-72]
	bl	__isoc99_sscanf
	ldr	r3, [fp, #-88]
	cmp	r3, #104
	bgt	.L33
	ldr	r3, [fp, #-88]
	cmp	r3, #0
	bge	.L34
.L33:
	sub	r1, fp, #68
	ldmia	r1, {r0-r1}
	sub	r3, fp, #44
	ldmia	r3, {r2-r3}
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	mov	r4, r2
	mov	r5, r3
	sub	r1, fp, #60
	ldmia	r1, {r0-r1}
	sub	r3, fp, #44
	ldmia	r3, {r2-r3}
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	mov	r6, r2
	mov	r7, r3
	sub	r1, fp, #52
	ldmia	r1, {r0-r1}
	sub	r3, fp, #44
	ldmia	r3, {r2-r3}
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	str	r2, [sp, #16]
	str	r3, [sp, #20]
	str	r6, [sp, #8]
	str	r7, [sp, #12]
	stm	sp, {r4-r5}
	ldr	r2, .L42+24
	ldr	r1, .L42+28
	ldr	r0, [fp, #-100]
	bl	fprintf
	b	.L35
.L34:
	ldr	r3, [fp, #-88]
	ldr	r2, .L42+32
	ldr	r8, [r2, r3, lsl #2]
	sub	r1, fp, #68
	ldmia	r1, {r0-r1}
	sub	r3, fp, #44
	ldmia	r3, {r2-r3}
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	mov	r4, r2
	mov	r5, r3
	sub	r1, fp, #60
	ldmia	r1, {r0-r1}
	sub	r3, fp, #44
	ldmia	r3, {r2-r3}
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	mov	r6, r2
	mov	r7, r3
	sub	r1, fp, #52
	ldmia	r1, {r0-r1}
	sub	r3, fp, #44
	ldmia	r3, {r2-r3}
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	str	r2, [sp, #16]
	str	r3, [sp, #20]
	str	r6, [sp, #8]
	str	r7, [sp, #12]
	stm	sp, {r4-r5}
	mov	r2, r8
	ldr	r1, .L42+28
	ldr	r0, [fp, #-100]
	bl	fprintf
.L35:
	ldr	r0, [fp, #-72]
	bl	free
	ldr	r3, [fp, #-84]
	add	r3, r3, #1
	str	r3, [fp, #-84]
.L32:
	ldr	r2, [fp, #-84]
	ldr	r3, [fp, #-104]
	cmp	r2, r3
	blt	.L36
	ldr	r3, [fp, #-100]
	mov	r2, #7
	mov	r1, #1
	ldr	r0, .L42+36
	bl	fwrite
	mov	r3, #0
	str	r3, [fp, #-84]
	b	.L37
.L38:
	ldr	r3, [fp, #-84]
	lsl	r3, r3, #2
	ldr	r2, [fp, #-80]
	add	r3, r2, r3
	ldr	r1, [r3]
	ldr	r3, [fp, #-84]
	lsl	r3, r3, #2
	ldr	r2, [fp, #-76]
	add	r3, r2, r3
	ldr	r3, [r3]
	mov	r2, r1
	ldr	r1, .L42+40
	ldr	r0, [fp, #-100]
	bl	fprintf
	ldr	r3, [fp, #-84]
	add	r3, r3, #1
	str	r3, [fp, #-84]
.L37:
	ldr	r2, [fp, #-84]
	ldr	r3, [fp, #-104]
	cmp	r2, r3
	blt	.L38
	ldr	r3, [fp, #-100]
	mov	r2, #40
	mov	r1, #1
	ldr	r0, .L42+44
	bl	fwrite
	mov	r3, #0
	str	r3, [fp, #-84]
	b	.L39
.L40:
	ldr	r3, [fp, #-84]
	lsl	r3, r3, #2
	ldr	r2, [fp, #-80]
	add	r3, r2, r3
	ldr	r3, [r3]
	mov	r0, r3
	bl	free
	ldr	r3, [fp, #-84]
	add	r3, r3, #1
	str	r3, [fp, #-84]
.L39:
	ldr	r2, [fp, #-84]
	ldr	r3, [fp, #-104]
	cmp	r2, r3
	blt	.L40
	ldr	r0, [fp, #-80]
	bl	free
	ldr	r0, [fp, #-76]
	bl	free
	nop
	ldr	r3, .L42
	ldr	r2, [r3]
	ldr	r3, [fp, #-32]
	eors	r2, r3, r2
	mov	r3, #0
	beq	.L41
	bl	__stack_chk_fail
.L41:
	sub	sp, fp, #24
	@ sp needed
	pop	{r4, r5, r6, r7, r8, fp, pc}
.L43:
	.align	2
.L42:
	.word	.LC123
	.word	1072693248
	.word	541573248
	.word	1071705861
	.word	.LC116
	.word	.LC117
	.word	.LC118
	.word	.LC119
	.word	element
	.word	.LC120
	.word	.LC121
	.word	.LC122
	.size	read_geometry, .-read_geometry
	.section	.rodata
	.align	2
.LC124:
	.word	__stack_chk_guard
	.text
	.align	2
	.global	read_geom1
	.syntax unified
	.arm
	.fpu softvfp
	.type	read_geom1, %function
read_geom1:
	@ args = 0, pretend = 0, frame = 64
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{r4, r5, r6, r7, fp, lr}
	add	fp, sp, #20
	sub	sp, sp, #88
	str	r0, [fp, #-72]
	str	r1, [fp, #-76]
	str	r2, [fp, #-80]
	ldr	r3, .L48
	ldr	r3, [r3]
	str	r3, [fp, #-24]
	mov	r3,#0
	ldr	r2, [fp, #-80]
	ldr	r1, .L48+4
	ldr	r0, [fp, #-76]
	bl	fprintf
	mov	r3, #0
	str	r3, [fp, #-68]
	b	.L45
.L46:
	ldr	r0, [fp, #-72]
	bl	read_line
	str	r0, [fp, #-64]
	sub	r1, fp, #60
	sub	r2, fp, #32
	sub	r3, fp, #44
	str	r3, [sp, #4]
	sub	r3, fp, #52
	str	r3, [sp]
	mov	r3, r1
	ldr	r1, .L48+8
	ldr	r0, [fp, #-64]
	bl	__isoc99_sscanf
	sub	r1, fp, #60
	ldmia	r1, {r0-r1}
	ldr	r2, .L48+12
	ldr	r3, .L48+16
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	mov	r4, r2
	mov	r5, r3
	sub	r1, fp, #52
	ldmia	r1, {r0-r1}
	ldr	r2, .L48+12
	ldr	r3, .L48+16
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	mov	r6, r2
	mov	r7, r3
	sub	r1, fp, #44
	ldmia	r1, {r0-r1}
	ldr	r2, .L48+12
	ldr	r3, .L48+16
	bl	__aeabi_dmul
	mov	r2, r0
	mov	r3, r1
	sub	r1, fp, #32
	str	r2, [sp, #16]
	str	r3, [sp, #20]
	str	r6, [sp, #8]
	str	r7, [sp, #12]
	stm	sp, {r4-r5}
	mov	r2, r1
	ldr	r1, .L48+20
	ldr	r0, [fp, #-76]
	bl	fprintf
	ldr	r0, [fp, #-64]
	bl	free
	ldr	r3, [fp, #-68]
	add	r3, r3, #1
	str	r3, [fp, #-68]
.L45:
	ldr	r2, [fp, #-68]
	ldr	r3, [fp, #-80]
	cmp	r2, r3
	blt	.L46
	nop
	ldr	r3, .L48
	ldr	r2, [r3]
	ldr	r3, [fp, #-24]
	eors	r2, r3, r2
	mov	r3, #0
	beq	.L47
	bl	__stack_chk_fail
.L47:
	sub	sp, fp, #20
	@ sp needed
	pop	{r4, r5, r6, r7, fp, pc}
.L49:
	.align	2
.L48:
	.word	.LC124
	.word	.LC116
	.word	.LC109
	.word	541573248
	.word	1071705861
	.word	.LC110
	.size	read_geom1, .-read_geom1
	.section	.rodata
	.align	2
.LC125:
	.ascii	"  MULLIKEN_CHARGE = \000"
	.align	2
.LC126:
	.ascii	"  LOPROP_CHARGE = \000"
	.align	2
.LC127:
	.ascii	"%f\012\000"
	.align	2
.LC128:
	.ascii	"</ATOM>\000"
	.text
	.align	2
	.global	read_charge
	.syntax unified
	.arm
	.fpu softvfp
	.type	read_charge, %function
read_charge:
	@ args = 0, pretend = 0, frame = 32
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{fp, lr}
	add	fp, sp, #4
	sub	sp, sp, #32
	str	r0, [fp, #-24]
	str	r1, [fp, #-28]
	str	r2, [fp, #-32]
	str	r3, [fp, #-36]
	ldr	r3, [fp, #-28]
	mov	r2, #7
	mov	r1, #1
	ldr	r0, .L55
	bl	fwrite
	mov	r3, #0
	str	r3, [fp, #-20]
	b	.L51
.L54:
	ldr	r0, [fp, #-24]
	bl	read_line
	str	r0, [fp, #-16]
	ldr	r0, [fp, #-16]
	bl	atof
	str	r0, [fp, #-12]
	str	r1, [fp, #-8]
	ldr	r3, [fp, #-36]
	cmp	r3, #0
	beq	.L52
	ldr	r3, [fp, #-28]
	mov	r2, #20
	mov	r1, #1
	ldr	r0, .L55+4
	bl	fwrite
	b	.L53
.L52:
	ldr	r3, [fp, #-28]
	mov	r2, #18
	mov	r1, #1
	ldr	r0, .L55+8
	bl	fwrite
.L53:
	sub	r3, fp, #12
	ldmia	r3, {r2-r3}
	ldr	r1, .L55+12
	ldr	r0, [fp, #-28]
	bl	fprintf
	ldr	r0, [fp, #-16]
	bl	free
	ldr	r3, [fp, #-20]
	add	r3, r3, #1
	str	r3, [fp, #-20]
.L51:
	ldr	r2, [fp, #-20]
	ldr	r3, [fp, #-32]
	cmp	r2, r3
	blt	.L54
	ldr	r3, [fp, #-28]
	mov	r2, #7
	mov	r1, #1
	ldr	r0, .L55+16
	bl	fwrite
	nop
	sub	sp, fp, #4
	@ sp needed
	pop	{fp, pc}
.L56:
	.align	2
.L55:
	.word	.LC120
	.word	.LC125
	.word	.LC126
	.word	.LC127
	.word	.LC128
	.size	read_charge, .-read_charge
	.section	.rodata
	.align	2
.LC129:
	.ascii	"<VIBRATION>\012\000"
	.align	2
.LC130:
	.ascii	" FREQ=%f  IR_INT=%f\012\000"
	.align	2
.LC131:
	.ascii	" %lf %lf %lf\000"
	.align	2
.LC132:
	.ascii	"  %f  %f  %f\012\000"
	.align	2
.LC133:
	.ascii	"</VIBRATION>\012\000"
	.align	2
.LC134:
	.word	__stack_chk_guard
	.text
	.align	2
	.global	read_normod
	.syntax unified
	.arm
	.fpu softvfp
	.type	read_normod, %function
read_normod:
	@ args = 8, pretend = 0, frame = 72
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{r4, r5, fp, lr}
	add	fp, sp, #12
	sub	sp, sp, #88
	str	r0, [fp, #-64]
	str	r1, [fp, #-68]
	str	r2, [fp, #-72]
	str	r3, [fp, #-76]
	ldr	r3, [fp, #4]
	str	r3, [fp, #-80]
	ldr	r3, [fp, #8]
	str	r3, [fp, #-84]
	ldr	r3, .L63
	ldr	r3, [r3]
	str	r3, [fp, #-16]
	mov	r3,#0
	mov	r3, #0
	str	r3, [fp, #-56]
	b	.L58
.L61:
	ldr	r0, [fp, #-64]
	bl	read_line
	str	r0, [fp, #-48]
	ldr	r0, [fp, #-48]
	bl	free
	ldr	r3, [fp, #-68]
	mov	r2, #12
	mov	r1, #1
	ldr	r0, .L63+4
	bl	fwrite
	ldr	r3, [fp, #-56]
	lsl	r3, r3, #3
	ldr	r2, [fp, #-80]
	add	r3, r2, r3
	ldmia	r3, {r0-r1}
	ldr	r3, [fp, #-56]
	lsl	r3, r3, #3
	ldr	r2, [fp, #-84]
	add	r3, r2, r3
	ldmia	r3, {r2-r3}
	stm	sp, {r2-r3}
	mov	r2, r0
	mov	r3, r1
	ldr	r1, .L63+8
	ldr	r0, [fp, #-68]
	bl	fprintf
	mov	r3, #0
	str	r3, [fp, #-52]
	b	.L59
.L60:
	ldr	r0, [fp, #-64]
	bl	read_line
	str	r0, [fp, #-48]
	sub	r1, fp, #36
	sub	r2, fp, #44
	sub	r3, fp, #28
	str	r3, [sp]
	mov	r3, r1
	ldr	r1, .L63+12
	ldr	r0, [fp, #-48]
	bl	__isoc99_sscanf
	sub	r5, fp, #44
	ldmia	r5, {r4-r5}
	sub	r3, fp, #36
	ldmia	r3, {r2-r3}
	sub	r1, fp, #28
	ldmia	r1, {r0-r1}
	str	r0, [sp, #8]
	str	r1, [sp, #12]
	stm	sp, {r2-r3}
	mov	r2, r4
	mov	r3, r5
	ldr	r1, .L63+16
	ldr	r0, [fp, #-68]
	bl	fprintf
	ldr	r0, [fp, #-48]
	bl	free
	ldr	r3, [fp, #-52]
	add	r3, r3, #1
	str	r3, [fp, #-52]
.L59:
	ldr	r2, [fp, #-52]
	ldr	r3, [fp, #-72]
	cmp	r2, r3
	blt	.L60
	ldr	r3, [fp, #-68]
	mov	r2, #13
	mov	r1, #1
	ldr	r0, .L63+20
	bl	fwrite
	ldr	r3, [fp, #-56]
	add	r3, r3, #1
	str	r3, [fp, #-56]
.L58:
	ldr	r2, [fp, #-56]
	ldr	r3, [fp, #-76]
	cmp	r2, r3
	blt	.L61
	nop
	ldr	r3, .L63
	ldr	r2, [r3]
	ldr	r3, [fp, #-16]
	eors	r2, r3, r2
	mov	r3, #0
	beq	.L62
	bl	__stack_chk_fail
.L62:
	sub	sp, fp, #12
	@ sp needed
	pop	{r4, r5, fp, pc}
.L64:
	.align	2
.L63:
	.word	.LC134
	.word	.LC129
	.word	.LC130
	.word	.LC131
	.word	.LC132
	.word	.LC133
	.size	read_normod, .-read_normod
	.section	.rodata
	.align	2
.LC135:
	.ascii	"MOLDEN FORMAT\000"
	.align	2
.LC136:
	.ascii	"N_GEO\000"
	.align	2
.LC137:
	.ascii	"N_ATOMS\000"
	.align	2
.LC138:
	.ascii	"NATOM\000"
	.align	2
.LC139:
	.ascii	"N_FREQ\000"
	.align	2
.LC140:
	.ascii	"GEOCONV\000"
	.align	2
.LC141:
	.ascii	"GEOMETRIES\000"
	.align	2
.LC142:
	.ascii	"XYZ\000"
	.align	2
.LC143:
	.ascii	"AU\000"
	.align	2
.LC144:
	.ascii	"ATOMS\000"
	.align	2
.LC145:
	.ascii	"FR-COORD\000"
	.align	2
.LC146:
	.ascii	"CHARGE\000"
	.align	2
.LC147:
	.ascii	"MULLIKEN\000"
	.align	2
.LC148:
	.ascii	"FREQ\000"
	.align	2
.LC149:
	.ascii	"INT\000"
	.align	2
.LC150:
	.ascii	"FR-NORM-COORD\000"
	.text
	.align	2
	.global	convert_molden_to_luscus
	.syntax unified
	.arm
	.fpu softvfp
	.type	convert_molden_to_luscus, %function
convert_molden_to_luscus:
	@ args = 0, pretend = 0, frame = 48
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{fp, lr}
	add	fp, sp, #4
	sub	sp, sp, #64
	str	r0, [fp, #-48]
	str	r1, [fp, #-52]
	mov	r3, #1
	str	r3, [fp, #-28]
	mov	r3, #0
	str	r3, [fp, #-24]
	mov	r3, #0
	str	r3, [fp, #-20]
	mov	r3, #0
	str	r3, [fp, #-16]
	mov	r3, #0
	str	r3, [fp, #-12]
	mov	r3, #0
	str	r3, [fp, #-8]
	ldr	r0, [fp, #-48]
	bl	read_line
	str	r0, [fp, #-44]
	ldr	r1, .L89
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	bne	.L66
	mov	r3, #0
	str	r3, [fp, #-28]
.L66:
	ldr	r0, [fp, #-44]
	bl	free
	ldr	r3, [fp, #-28]
	cmp	r3, #0
	beq	.L88
	b	.L69
.L87:
	ldr	r0, [fp, #-48]
	bl	read_line
	str	r0, [fp, #-44]
	ldr	r1, .L89+4
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L70
	ldr	r0, [fp, #-44]
	bl	free
	ldr	r0, [fp, #-48]
	bl	read_line
	str	r0, [fp, #-44]
	ldr	r0, [fp, #-44]
	bl	atoi
	str	r0, [fp, #-40]
	ldr	r3, [fp, #-40]
	cmp	r3, #0
	beq	.L71
	ldr	r3, [fp, #-40]
	lsl	r3, r3, #3
	mov	r0, r3
	bl	malloc
	mov	r3, r0
	str	r3, [fp, #-24]
	ldr	r3, [fp, #-40]
	lsl	r3, r3, #3
	mov	r0, r3
	bl	malloc
	mov	r3, r0
	str	r3, [fp, #-20]
	ldr	r3, [fp, #-40]
	lsl	r3, r3, #3
	mov	r0, r3
	bl	malloc
	mov	r3, r0
	str	r3, [fp, #-16]
	b	.L71
.L70:
	ldr	r1, .L89+8
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	bne	.L72
	ldr	r1, .L89+12
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L73
.L72:
	ldr	r0, [fp, #-44]
	bl	free
	ldr	r0, [fp, #-48]
	bl	read_line
	str	r0, [fp, #-44]
	ldr	r0, [fp, #-44]
	bl	atoi
	str	r0, [fp, #-32]
	b	.L71
.L73:
	ldr	r1, .L89+16
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L74
	ldr	r0, [fp, #-44]
	bl	free
	ldr	r0, [fp, #-48]
	bl	read_line
	str	r0, [fp, #-44]
	ldr	r0, [fp, #-44]
	bl	atoi
	str	r0, [fp, #-36]
	ldr	r3, [fp, #-36]
	cmp	r3, #0
	beq	.L71
	ldr	r3, [fp, #-36]
	lsl	r3, r3, #3
	mov	r0, r3
	bl	malloc
	mov	r3, r0
	str	r3, [fp, #-12]
	ldr	r3, [fp, #-36]
	lsl	r3, r3, #3
	mov	r0, r3
	bl	malloc
	mov	r3, r0
	str	r3, [fp, #-8]
	b	.L71
.L74:
	ldr	r1, .L89+20
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L75
	ldr	r3, [fp, #-16]
	str	r3, [sp]
	ldr	r3, [fp, #-20]
	ldr	r2, [fp, #-24]
	ldr	r1, [fp, #-40]
	ldr	r0, [fp, #-48]
	bl	read_geoconv
	b	.L71
.L75:
	ldr	r1, .L89+24
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L76
	ldr	r1, .L89+28
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L77
	mov	r3, #1
	str	r3, [sp, #8]
	ldr	r3, [fp, #-16]
	str	r3, [sp, #4]
	ldr	r3, [fp, #-20]
	str	r3, [sp]
	ldr	r3, [fp, #-24]
	ldr	r2, [fp, #-40]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_geometries
	b	.L71
.L77:
	ldr	r1, .L89+32
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L78
	mov	r3, #2
	str	r3, [sp, #8]
	ldr	r3, [fp, #-16]
	str	r3, [sp, #4]
	ldr	r3, [fp, #-20]
	str	r3, [sp]
	ldr	r3, [fp, #-24]
	ldr	r2, [fp, #-40]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_geometries
	b	.L71
.L78:
	mov	r3, #1
	str	r3, [sp, #8]
	ldr	r3, [fp, #-16]
	str	r3, [sp, #4]
	ldr	r3, [fp, #-20]
	str	r3, [sp]
	ldr	r3, [fp, #-24]
	ldr	r2, [fp, #-40]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_geometries
	b	.L71
.L76:
	ldr	r1, .L89+36
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L79
	ldr	r1, .L89+28
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L80
	mov	r3, #1
	ldr	r2, [fp, #-32]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_geometry
	b	.L71
.L80:
	ldr	r1, .L89+32
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L81
	mov	r3, #2
	ldr	r2, [fp, #-32]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_geometry
	b	.L71
.L81:
	mov	r3, #1
	ldr	r2, [fp, #-32]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_geometry
	b	.L71
.L79:
	ldr	r1, .L89+40
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L82
	ldr	r2, [fp, #-32]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_geom1
	b	.L71
.L82:
	ldr	r1, .L89+44
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L83
	ldr	r1, .L89+48
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L84
	mov	r3, #1
	ldr	r2, [fp, #-32]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_charge
	b	.L71
.L84:
	mov	r3, #0
	ldr	r2, [fp, #-32]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_charge
	b	.L71
.L83:
	ldr	r1, .L89+52
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L85
	ldr	r2, [fp, #-12]
	ldr	r1, [fp, #-36]
	ldr	r0, [fp, #-48]
	bl	read_array
	b	.L71
.L85:
	ldr	r1, .L89+56
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L86
	ldr	r2, [fp, #-8]
	ldr	r1, [fp, #-36]
	ldr	r0, [fp, #-48]
	bl	read_array
	b	.L71
.L86:
	ldr	r1, .L89+60
	ldr	r0, [fp, #-44]
	bl	strstr
	mov	r3, r0
	cmp	r3, #0
	beq	.L71
	ldr	r3, [fp, #-8]
	str	r3, [sp, #4]
	ldr	r3, [fp, #-12]
	str	r3, [sp]
	ldr	r3, [fp, #-36]
	ldr	r2, [fp, #-32]
	ldr	r1, [fp, #-52]
	ldr	r0, [fp, #-48]
	bl	read_normod
.L71:
	ldr	r0, [fp, #-44]
	bl	free
.L69:
	ldr	r0, [fp, #-48]
	bl	feof
	mov	r3, r0
	cmp	r3, #0
	beq	.L87
	b	.L65
.L88:
	nop
.L65:
	sub	sp, fp, #4
	@ sp needed
	pop	{fp, pc}
.L90:
	.align	2
.L89:
	.word	.LC135
	.word	.LC136
	.word	.LC137
	.word	.LC138
	.word	.LC139
	.word	.LC140
	.word	.LC141
	.word	.LC142
	.word	.LC143
	.word	.LC144
	.word	.LC145
	.word	.LC146
	.word	.LC147
	.word	.LC148
	.word	.LC149
	.word	.LC150
	.size	convert_molden_to_luscus, .-convert_molden_to_luscus
	.section	.rodata
	.align	2
.LC151:
	.ascii	"--version\000"
	.align	2
.LC152:
	.ascii	"1.0.0\000"
	.align	2
.LC153:
	.ascii	"molden2lus version %s\012\000"
	.align	2
.LC154:
	.ascii	".lus\000"
	.align	2
.LC155:
	.ascii	"r\000"
	.align	2
.LC156:
	.ascii	"ERROR: Can't open input file: %s\012\000"
	.align	2
.LC157:
	.ascii	"w\000"
	.align	2
.LC158:
	.ascii	"ERROR: Can't open output file: %s\012\000"
	.align	2
.LC159:
	.word	__stack_chk_guard
	.text
	.align	2
	.global	main
	.syntax unified
	.arm
	.fpu softvfp
	.type	main, %function
main:
	@ args = 0, pretend = 0, frame = 1048
	@ frame_needed = 1, uses_anonymous_args = 0
	push	{fp, lr}
	add	fp, sp, #4
	sub	sp, sp, #1040
	sub	sp, sp, #8
	str	r0, [fp, #-1048]
	str	r1, [fp, #-1052]
	ldr	r3, .L103
	ldr	r3, [r3]
	str	r3, [fp, #-8]
	mov	r3,#0
	ldr	r3, [fp, #-1048]
	cmp	r3, #1
	bgt	.L92
	mov	r3, #1
	b	.L101
.L92:
	ldr	r3, [fp, #-1052]
	add	r3, r3, #4
	ldr	r3, [r3]
	ldr	r1, .L103+4
	mov	r0, r3
	bl	strcmp
	mov	r3, r0
	cmp	r3, #0
	bne	.L94
	ldr	r1, .L103+8
	ldr	r0, .L103+12
	bl	printf
	mov	r3, #0
	b	.L101
.L94:
	ldr	r3, [fp, #-1048]
	sub	r3, r3, #-1073741823
	lsl	r3, r3, #2
	ldr	r2, [fp, #-1052]
	add	r3, r2, r3
	ldr	r1, [r3]
	sub	r3, fp, #1024
	sub	r3, r3, #4
	sub	r3, r3, #4
	mov	r2, #1020
	mov	r0, r3
	bl	strncpy
	sub	r3, fp, #1024
	sub	r3, r3, #4
	sub	r3, r3, #4
	mov	r0, r3
	bl	strlen
	mov	r3, r0
	str	r3, [fp, #-1044]
	b	.L95
.L97:
	ldr	r3, [fp, #-1044]
	sub	r3, r3, #1
	str	r3, [fp, #-1044]
.L95:
	ldr	r3, [fp, #-1044]
	cmp	r3, #0
	ble	.L96
	sub	r3, fp, #1024
	sub	r3, r3, #4
	sub	r3, r3, #4
	ldr	r2, [fp, #-1044]
	add	r3, r3, r2
	ldrb	r3, [r3]	@ zero_extendqisi2
	cmp	r3, #46
	bne	.L97
.L96:
	ldr	r3, [fp, #-1044]
	cmp	r3, #0
	bne	.L98
	sub	r3, fp, #1024
	sub	r3, r3, #4
	sub	r3, r3, #4
	mov	r0, r3
	bl	strlen
	mov	r3, r0
	str	r3, [fp, #-1044]
.L98:
	ldr	r2, [fp, #-1044]
	sub	r3, fp, #1024
	sub	r3, r3, #4
	sub	r3, r3, #4
	add	r3, r3, r2
	ldr	r2, .L103+16
	mov	r0, r3
	mov	r1, r2
	mov	r3, #4
	mov	r2, r3
	bl	memcpy
	ldr	r3, [fp, #-1044]
	add	r3, r3, #4
	sub	r2, fp, #4
	add	r3, r2, r3
	mov	r2, #0
	strb	r2, [r3, #-1028]
	ldr	r3, [fp, #-1048]
	sub	r3, r3, #-1073741823
	lsl	r3, r3, #2
	ldr	r2, [fp, #-1052]
	add	r3, r2, r3
	ldr	r3, [r3]
	ldr	r1, .L103+20
	mov	r0, r3
	bl	fopen
	str	r0, [fp, #-1040]
	ldr	r3, [fp, #-1040]
	cmp	r3, #0
	bne	.L99
	ldr	r3, .L103+24
	ldr	r0, [r3]
	ldr	r3, [fp, #-1048]
	sub	r3, r3, #-1073741823
	lsl	r3, r3, #2
	ldr	r2, [fp, #-1052]
	add	r3, r2, r3
	ldr	r3, [r3]
	mov	r2, r3
	ldr	r1, .L103+28
	bl	fprintf
	mov	r3, #1
	b	.L101
.L99:
	sub	r3, fp, #1024
	sub	r3, r3, #4
	sub	r3, r3, #4
	ldr	r1, .L103+32
	mov	r0, r3
	bl	fopen
	str	r0, [fp, #-1036]
	ldr	r3, [fp, #-1036]
	cmp	r3, #0
	bne	.L100
	ldr	r3, .L103+24
	ldr	r0, [r3]
	sub	r3, fp, #1024
	sub	r3, r3, #4
	sub	r3, r3, #4
	mov	r2, r3
	ldr	r1, .L103+36
	bl	fprintf
	mov	r3, #1
	b	.L101
.L100:
	ldr	r1, [fp, #-1036]
	ldr	r0, [fp, #-1040]
	bl	convert_molden_to_luscus
	mov	r3, #0
.L101:
	ldr	r2, .L103
	ldr	r1, [r2]
	ldr	r2, [fp, #-8]
	eors	r1, r2, r1
	mov	r2, #0
	beq	.L102
	bl	__stack_chk_fail
.L102:
	mov	r0, r3
	sub	sp, fp, #4
	@ sp needed
	pop	{fp, pc}
.L104:
	.align	2
.L103:
	.word	.LC159
	.word	.LC151
	.word	.LC152
	.word	.LC153
	.word	.LC154
	.word	.LC155
	.word	stderr
	.word	.LC156
	.word	.LC157
	.word	.LC158
	.size	main, .-main
	.ident	"GCC: (Ubuntu 9.4.0-1ubuntu1~20.04.2) 9.4.0"
	.section	.note.GNU-stack,"",%progbits
