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	hartrees
Energy at 0K	-571.391266
Energy at 298.15K	-571.392330
HF Energy	-571.391266
Nuclear repulsion energy	86.234349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3095	2977	26.70
2	A'	1777	1709	278.71
3	A'	1359	1307	30.90
4	A'	668	643	203.56
5	A'	414	399	23.42
6	A"	959	923	4.63

Atom	x (Å)	y (Å)
C1	0.000	0.821
O2	1.138	1.204
Cl3	-0.482	-0.939
H4	-0.919	1.410

	C1	O2	Cl3	H4
C1		1.2011	1.8249	1.0910
O2	1.2011		2.6868	2.0672
Cl3	1.8249	2.6868		2.3891
H4	1.0910	2.0672	2.3891

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.910		O2	C1	H4	128.742
Cl3	C1	H4	107.348

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

using model chemistry: B3LYP/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	0.153
2	O	-0.345
3	Cl	-0.053
4	H	0.246

	x	y	z	Total
	-1.542	1.133	0.000	1.914
CHELPG
AIM
ESP

	x	y	z
x	3.154	1.040	0.000
y	1.040	4.709	0.000
z	0.000	0.000	1.468

<r²>	0.000
(<r²>)^1/2	0.000