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	hartrees
Energy at 0K	-37.091621
Energy at 298.15K	-37.092699
HF Energy	-37.091621
Nuclear repulsion energy	31.482241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3084	3005	20.87
2	A'	1713	1669	382.58
3	A'	1317	1284	37.83
4	A'	684	667	196.52
5	A'	424	413	10.99
6	A"	913	890	7.71

Atom	x (Å)	y (Å)
C1	0.000	0.843
O2	1.159	1.217
Cl3	-0.492	-0.957
H4	-0.901	1.467

	C1	O2	Cl3	H4
C1		1.2176	1.8657	1.0964
O2	1.2176		2.7295	2.0752
Cl3	1.8657	2.7295		2.4582
H4	1.0964	2.0752	2.4582

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.185		O2	C1	H4	127.401
Cl3	C1	H4	109.414

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

using model chemistry: B3LYP/CEP-121G

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	-0.135
2	O	-0.046
3	Cl	-0.013
4	H	0.194

	x	y	z	Total
	-1.884	1.275	0.000	2.274
CHELPG
AIM
ESP

	x	y	z
x	3.507	1.348	0.000
y	1.348	5.337	0.000
z	0.000	0.000	1.567

<r²>	0.000
(<r²>)^1/2	0.000