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	hartrees
Energy at 0K	-574.126042
Energy at 298.15K	-574.127197
HF Energy	-574.126042
Nuclear repulsion energy	88.340212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	2973	19.75
2	A'	1887	1805	406.13
3	A'	1353	1294	31.83
4	A'	762	729	226.24
5	A'	470	449	9.57
6	A"	960	918	3.23

Atom	x (Å)	y (Å)
C1	0.000	0.792
O2	1.127	1.154
Cl3	-0.478	-0.907
H4	-0.886	1.436

	C1	O2	Cl3	H4
C1		1.1838	1.7653	1.0958
O2	1.1838		2.6127	2.0331
Cl3	1.7653	2.6127		2.3787
H4	1.0958	2.0331	2.3787

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.534		O2	C1	H4	126.180
Cl3	C1	H4	110.286

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

using model chemistry: B1B95/6-31+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	0.021
2	O	-0.240
3	Cl	0.026
4	H	0.192

	x	y	z	Total
	-1.866	0.702	0.000	1.994
CHELPG
AIM
ESP

	x	y	z
x	4.083	1.054	0.000
y	1.054	5.308	0.000
z	0.000	0.000	2.369

<r²>	0.000
(<r²>)^1/2	0.000