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	hartrees
Energy at 0K	-574.050896
Energy at 298.15K	-574.052027
HF Energy	-574.050896
Nuclear repulsion energy	87.717572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3066	2958	25.74
2	A'	1881	1815	367.30
3	A'	1308	1263	30.65
4	A'	736	710	206.04
5	A'	455	439	11.64
6	A"	944	911	1.60

Atom	x (Å)	y (Å)
C1	0.000	0.803
O2	1.123	1.173
Cl3	-0.475	-0.920
H4	-0.911	1.432

	C1	O2	Cl3	H4
C1		1.1824	1.7870	1.1068
O2	1.1824		2.6328	2.0502
Cl3	1.7870	2.6328		2.3920
H4	1.1068	2.0502	2.3920

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.625		O2	C1	H4	127.138
Cl3	C1	H4	109.237

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

using model chemistry: B3PW91/cc-pVDZ

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	0.129
2	O	-0.121
3	Cl	-0.104
4	H	0.096

	x	y	z	Total
	-1.575	0.863	0.000	1.796
CHELPG
AIM
ESP

	x	y	z
x	3.331	0.972	0.000
y	0.972	4.837	0.000
z	0.000	0.000	1.754

<r²>	0.000
(<r²>)^1/2	0.000