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	hartrees
Energy at 0K	-36.442891
Energy at 298.15K	-36.444116
HF Energy	-36.442891
Nuclear repulsion energy	32.782736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	2992	44.12
2	A'	2025	1818	536.77
3	A'	1461	1312	65.95
4	A'	825	741	247.50
5	A'	508	456	6.87
6	A"	1055	947	0.25

Atom	x (Å)	y (Å)
C1	0.000	0.795
O2	1.122	1.149
Cl3	-0.477	-0.906
H4	-0.877	1.443

	C1	O2	Cl3	H4
C1		1.1771	1.7661	1.0903
O2	1.1771		2.6037	2.0209
Cl3	1.7661	2.6037		2.3824
H4	1.0903	2.0209	2.3824

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.172		O2	C1	H4	126.025
Cl3	C1	H4	110.803

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

using model chemistry: HF/CEP-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	0.032
2	O	-0.111
3	Cl	-0.120
4	H	0.199

	x	y	z	Total
	-2.157	0.854	0.000	2.320
CHELPG
AIM
ESP

	x	y	z
x	3.116	0.999	0.000
y	0.999	4.421	0.000
z	0.000	0.000	1.710

<r²>	0.000
(<r²>)^1/2	0.000