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	hartrees
Energy at 0K	-567.265303
Energy at 298.15K	-567.266284
HF Energy	-567.265303
Nuclear repulsion energy	83.790227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	2925	3.63
2	A'	1845	1685	102.77
3	A'	1309	1196	16.06
4	A'	748	684	107.20
5	A'	441	403	5.59
6	A"	841	768	3.95

Atom	x (Å)	y (Å)
C1	0.000	0.842
O2	1.177	1.234
Cl3	-0.498	-0.964
H4	-0.943	1.458

	C1	O2	Cl3	H4
C1		1.2407	1.8732	1.1259
O2	1.2407		2.7636	2.1315
Cl3	1.8732	2.7636		2.4617
H4	1.1259	2.1315	2.4617

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.856		O2	C1	H4	128.430
Cl3	C1	H4	107.714

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

using model chemistry: PBEPBE/STO-3G

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	0.111
2	O	-0.086
3	Cl	-0.153
4	H	0.128

	x	y	z	Total
	-0.619	1.795	0.000	1.898
CHELPG
AIM
ESP

	x	y	z
x	1.723	0.909	0.000
y	0.909	3.013	0.000
z	0.000	0.000	0.466

<r²>	0.000
(<r²>)^1/2	0.000