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	hartrees
Energy at 0K	-566.372744
Energy at 298.15K	-566.373899
HF Energy	-566.372744
Nuclear repulsion energy	86.685454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3589	2930	8.78
2	A'	2092	1708	136.26
3	A'	1513	1235	61.04
4	A'	888	725	125.38
5	A'	515	421	8.74
6	A"	999	816	0.39

Atom	x (Å)	y (Å)
C1	0.000	0.818
O2	1.148	1.170
Cl3	-0.488	-0.926
H4	-0.892	1.466

	C1	O2	Cl3	H4
C1		1.2004	1.8108	1.1025
O2	1.2004		2.6580	2.0613
Cl3	1.8108	2.6580		2.4258
H4	1.1025	2.0613	2.4258

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	122.643		O2	C1	H4	126.988
Cl3	C1	H4	110.369

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

using model chemistry: HF/STO-3G

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	0.211
2	O	-0.154
3	Cl	-0.173
4	H	0.117

	x	y	z	Total
	-0.887	1.834	0.000	2.037
CHELPG
AIM
ESP

	x	y	z
x	1.666	0.712	0.000
y	0.712	2.487	0.000
z	0.000	0.000	0.415

<r²>	0.000
(<r²>)^1/2	0.000