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	hartrees
Energy at 0K	-574.120229
Energy at 298.15K	-574.121381
HF Energy	-574.120229
Nuclear repulsion energy	88.052929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3079	2945	27.76
2	A'	1906	1823	408.70
3	A'	1340	1282	42.44
4	A'	746	713	233.28
5	A'	465	445	12.97
6	A"	971	929	2.08

Atom	x (Å)	y (Å)
C1	0.000	0.799
O2	1.118	1.162
Cl3	-0.473	-0.913
H4	-0.894	1.436

	C1	O2	Cl3	H4
C1		1.1753	1.7769	1.0976
O2	1.1753		2.6153	2.0308
Cl3	1.7769	2.6153		2.3864
H4	1.0976	2.0308	2.3864

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.429		O2	C1	H4	126.595
Cl3	C1	H4	109.976

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

using model chemistry: wB97X-D/6-311G**

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	0.139
2	O	-0.212
3	Cl	-0.091
4	H	0.163

	x	y	z	Total
	-1.706	1.006	0.000	1.980
CHELPG
AIM
ESP

	x	y	z
x	3.379	1.079	0.000
y	1.079	5.026	0.000
z	0.000	0.000	1.743

<r²>	60.759
(<r²>)^1/2	7.795