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	hartrees
Energy at 0K	-572.848739
Energy at 298.15K	-572.849968
HF Energy	-572.848739
Nuclear repulsion energy	89.054688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	2955	22.05
2	A'	2027	1842	498.56
3	A'	1472	1338	62.45
4	A'	806	732	253.78
5	A'	505	459	9.32
6	A"	1068	970	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.799
O2	1.101	1.154
Cl3	-0.466	-0.909
H4	-0.880	1.431

	C1	O2	Cl3	H4
C1		1.1570	1.7702	1.0837
O2	1.1570		2.5908	2.0006
Cl3	1.7702	2.5908		2.3763
H4	1.0837	2.0006	2.3763

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.143		O2	C1	H4	126.435
Cl3	C1	H4	110.422

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

using model chemistry: HF/TZVP

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	0.323
2	O	-0.294
3	Cl	-0.142
4	H	0.112

	x	y	z	Total
	-2.041	0.880	0.000	2.223
CHELPG
AIM
ESP

	x	y	z
x	3.526	0.909	0.000
y	0.909	4.579	0.000
z	0.000	0.000	2.022

<r²>	59.920
(<r²>)^1/2	7.741