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	hartrees
Energy at 0K	-37.086706
Energy at 298.15K	-37.087767
HF Energy	-37.086706
Nuclear repulsion energy	31.386300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	3024	27.98
2	A'	1714	1660	371.97
3	A'	1309	1267	37.15
4	A'	680	658	195.87
5	A'	424	410	11.30
6	A"	905	877	11.48

Atom	x (Å)	y (Å)
C1	0.000	0.845
O2	1.161	1.222
Cl3	-0.493	-0.960
H4	-0.907	1.472

	C1	O2	Cl3	H4
C1		1.2209	1.8707	1.1026
O2	1.2209		2.7381	2.0830
Cl3	1.8707	2.7381		2.4665
H4	1.1026	2.0830	2.4665

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.295		O2	C1	H4	127.329
Cl3	C1	H4	109.375

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

using model chemistry: B3LYP/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	-0.207
2	O	-0.003
3	Cl	-0.033
4	H	0.243

	x	y	z	Total
	-2.047	1.321	0.000	2.437
CHELPG
AIM
ESP

	x	y	z
x	2.974	1.506	0.000
y	1.506	5.205	0.000
z	0.000	0.000	1.215

<r²>	0.000
(<r²>)^1/2	0.000