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	hartrees
Energy at 0K	-572.781611
Energy at 298.15K	-572.782843
HF Energy	-572.781611
Nuclear repulsion energy	89.234059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	2951	32.06
2	A'	2043	1820	446.27
3	A'	1493	1329	61.20
4	A'	827	736	245.02
5	A'	511	455	7.17
6	A"	1071	954	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.790
O2	1.110	1.144
Cl3	-0.471	-0.901
H4	-0.873	1.430

	C1	O2	Cl3	H4
C1		1.1651	1.7556	1.0828
O2	1.1651		2.5849	2.0040
Cl3	1.7556	2.5849		2.3660
H4	1.0828	2.0040	2.3660

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.230		O2	C1	H4	126.082
Cl3	C1	H4	110.688

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

using model chemistry: ROHF/6-31G*

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	0.211
2	O	-0.376
3	Cl	-0.054
4	H	0.218

	x	y	z	Total
	-2.035	0.832	0.000	2.198
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000