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	hartrees
Energy at 0K	-571.239173
Energy at 298.15K	-571.240120
HF Energy	-571.239173
Nuclear repulsion energy	82.574676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3040	3023	14.10
2	A'	1758	1748	285.08
3	A'	1234	1227	38.98
4	A'	597	593	162.07
5	A'	361	359	18.42
6	A"	876	872	8.83

Atom	x (Å)	y (Å)
C1	0.000	0.898
O2	1.133	1.303
Cl3	-0.476	-1.013
H4	-0.967	1.415

	C1	O2	Cl3	H4
C1		1.2032	1.9697	1.0962
O2	1.2032		2.8202	2.1027
Cl3	1.9697	2.8202		2.4773
H4	1.0962	2.1027	2.4773

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.642		O2	C1	H4	132.209
Cl3	C1	H4	104.148

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

using model chemistry: BLYP/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	0.121
2	O	-0.287
3	Cl	-0.091
4	H	0.258

	x	y	z	Total
	-1.187	2.038	0.000	2.358
CHELPG
AIM
ESP

	x	y	z
x	2.891	1.243	0.000
y	1.243	5.328	0.000
z	0.000	0.000	1.170

<r²>	0.000
(<r²>)^1/2	0.000