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	hartrees
Energy at 0K	-571.306401
Energy at 298.15K	-571.307518
HF Energy	-571.306401
Nuclear repulsion energy	87.235333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3025	22.45
2	A'	1806	1711	279.55
3	A'	1404	1330	35.34
4	A'	703	666	217.30
5	A'	443	420	15.37
6	A"	1001	948	3.59

Atom	x (Å)	y (Å)
C1	0.000	0.804
O2	1.143	1.172
Cl3	-0.485	-0.919
H4	-0.898	1.419

	C1	O2	Cl3	H4
C1		1.2010	1.7894	1.0892
O2	1.2010		2.6499	2.0565
Cl3	1.7894	2.6499		2.3743
H4	1.0892	2.0565	2.3743

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.588		O2	C1	H4	127.719
Cl3	C1	H4	108.693

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

using model chemistry: M06-2X/3-21G*

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	0.158
2	O	-0.370
3	Cl	-0.040
4	H	0.252

	x	y	z	Total
	-1.737	0.976	0.000	1.992
CHELPG
AIM
ESP

	x	y	z
x	3.150	1.000	0.000
y	1.000	4.451	0.000
z	0.000	0.000	1.466

<r²>	61.598
(<r²>)^1/2	7.848