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	hartrees
Energy at 0K	-574.026890
Energy at 298.15K	-574.028033
HF Energy	-574.026890
Nuclear repulsion energy	87.954737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	2966	19.80
2	A'	1867	1793	401.98
3	A'	1344	1290	30.12
4	A'	750	720	222.81
5	A'	463	444	10.92
6	A"	952	914	3.69

Atom	x (Å)	y (Å)
C1	0.000	0.796
O2	1.129	1.163
Cl3	-0.479	-0.913
H4	-0.892	1.438

	C1	O2	Cl3	H4
C1		1.1869	1.7751	1.0983
O2	1.1869		2.6255	2.0391
Cl3	1.7751	2.6255		2.3867
H4	1.0983	2.0391	2.3867

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.629		O2	C1	H4	126.283
Cl3	C1	H4	110.088

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

using model chemistry: B3PW91/6-31+G**

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	-0.007
2	O	-0.226
3	Cl	0.037
4	H	0.197

	x	y	z	Total
	-1.852	0.724	0.000	1.989
CHELPG
AIM
ESP

	x	y	z
x	4.106	1.084	0.000
y	1.084	5.393	0.000
z	0.000	0.000	2.376

<r²>	0.000
(<r²>)^1/2	0.000