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	hartrees
Energy at 0K	-574.117000
Energy at 298.15K	-574.118117
HF Energy	-574.117000
Nuclear repulsion energy	87.387586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3092	2969	29.98
2	A'	1877	1803	352.41
3	A'	1357	1303	36.09
4	A'	731	702	209.83
5	A'	449	431	13.46
6	A"	945	907	1.58

Atom	x (Å)	y (Å)
C1	0.000	0.808
O2	1.126	1.180
Cl3	-0.477	-0.925
H4	-0.901	1.435

	C1	O2	Cl3	H4
C1		1.1856	1.7969	1.0978
O2	1.1856		2.6451	2.0430
Cl3	1.7969	2.6451		2.3972
H4	1.0978	2.0430	2.3972

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.670		O2	C1	H4	126.898
Cl3	C1	H4	109.432

All results from a given calculation for COHCl (Formyl chloride)

using model chemistry: B3LYP/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.126
2	O	-0.281
3	Cl	-0.041
4	H	0.196

	x	y	z	Total
	-1.635	0.907	0.000	1.869
CHELPG
AIM
ESP

	x	y	z
x	3.418	1.003	0.000
y	1.003	4.919	0.000
z	0.000	0.000	1.758

<r²>	0.000
(<r²>)^1/2	0.000