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	hartrees
Energy at 0K	-572.799420
Energy at 298.15K	-572.800644
HF Energy	-572.799420
Nuclear repulsion energy	89.275147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	2946	24.31
2	A'	2035	1843	435.95
3	A'	1461	1323	57.23
4	A'	807	730	241.61
5	A'	503	455	7.27
6	A"	1074	972	0.06

Atom	x (Å)	y (Å)
C1	0.000	0.794
O2	1.102	1.148
Cl3	-0.467	-0.904
H4	-0.882	1.425

	C1	O2	Cl3	H4
C1		1.1581	1.7612	1.0847
O2	1.1581		2.5839	2.0039
Cl3	1.7612	2.5839		2.3658
H4	1.0847	2.0039	2.3658

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.201		O2	C1	H4	126.608
Cl3	C1	H4	110.192

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

using model chemistry: HF/6-31G(2df,p)

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	0.217
2	O	-0.265
3	Cl	-0.142
4	H	0.191

	x	y	z	Total
	-1.906	0.800	0.000	2.067
CHELPG
AIM
ESP

	x	y	z
x	3.629	0.747	0.000
y	0.747	4.660	0.000
z	0.000	0.000	2.351

<r²>	0.000
(<r²>)^1/2	0.000