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	hartrees
Energy at 0K	-574.076819
Energy at 298.15K	-574.077950
HF Energy	-574.076819
Nuclear repulsion energy	87.923429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3071	2956	33.52
2	A'	1885	1814	399.64
3	A'	1354	1303	37.76
4	A'	733	706	223.32
5	A'	456	439	15.29
6	A"	946	911	2.42

Atom	x (Å)	y (Å)
C1	0.000	0.804
O2	1.117	1.172
Cl3	-0.473	-0.920
H4	-0.899	1.432

	C1	O2	Cl3	H4
C1		1.1764	1.7871	1.0973
O2	1.1764		2.6277	2.0332
Cl3	1.7871	2.6277		2.3904
H4	1.0973	2.0332	2.3904

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.605		O2	C1	H4	126.783
Cl3	C1	H4	109.613

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

using model chemistry: B3PW91/6-311G*

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	0.037
2	O	-0.210
3	Cl	-0.079
4	H	0.251

	x	y	z	Total
	-1.667	0.944	0.000	1.916
CHELPG
AIM
ESP

	x	y	z
x	3.387	1.109	0.000
y	1.109	5.104	0.000
z	0.000	0.000	1.731

<r²>	0.000
(<r²>)^1/2	0.000