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	hartrees
Energy at 0K	-567.570299
Energy at 298.15K	-567.571315
HF Energy	-567.570299
Nuclear repulsion energy	84.336523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	2922	4.06
2	A'	1881	1679	117.34
3	A'	1354	1209	26.63
4	A'	768	686	114.22
5	A'	453	404	5.94
6	A"	873	779	2.77

Atom	x (Å)	y (Å)
C1	0.000	0.839
O2	1.171	1.221
Cl3	-0.496	-0.957
H4	-0.930	1.464

	C1	O2	Cl3	H4
C1		1.2312	1.8633	1.1204
O2	1.2312		2.7422	2.1146
Cl3	1.8633	2.7422		2.4595
H4	1.1204	2.1146	2.4595

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.490		O2	C1	H4	128.055
Cl3	C1	H4	108.455

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

using model chemistry: B3LYP/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	0.140
2	O	-0.107
3	Cl	-0.159
4	H	0.126

	x	y	z	Total
	-0.700	1.814	0.000	1.945
CHELPG
AIM
ESP

	x	y	z
x	1.704	0.854	0.000
y	0.854	2.906	0.000
z	0.000	0.000	0.454

<r²>	0.000
(<r²>)^1/2	0.000