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	hartrees
Energy at 0K	-573.284178
Energy at 298.15K	-573.285330
HF Energy	-572.812579
Nuclear repulsion energy	87.532959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3095	2970	36.35
2	A'	1848	1773	316.93
3	A'	1354	1299	37.83
4	A'	755	724	197.14
5	A'	464	445	8.93
6	A"	955	916	0.79

Atom	x (Å)	y (Å)
C1	0.000	0.801
O2	1.132	1.171
Cl3	-0.479	-0.918
H4	-0.903	1.443

	C1	O2	Cl3	H4
C1		1.1907	1.7845	1.1085
O2	1.1907		2.6382	2.0530
Cl3	1.7845	2.6382		2.3993
H4	1.1085	2.0530	2.3993

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.699		O2	C1	H4	126.452
Cl3	C1	H4	109.849

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

using model chemistry: QCISD/cc-pVDZ

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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