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	hartrees
Energy at 0K	-570.229772
Energy at 298.15K	-570.230752
HF Energy	-569.942618
Nuclear repulsion energy	82.961025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3028	16.67
2	A'	1742	1689	289.29
3	A'	1304	1264	84.95
4	A'	612	593	188.18
5	A'	372	361	23.23
6	A"	907	879	4.53

Atom	x (Å)	y (Å)
C1	0.000	0.895
O2	1.141	1.278
Cl3	-0.481	-1.002
H4	-0.943	1.441

	C1	O2	Cl3	H4
C1		1.2033	1.9573	1.0898
O2	1.2033		2.7983	2.0904
Cl3	1.9573	2.7983		2.4862
H4	1.0898	2.0904	2.4862

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	122.800		O2	C1	H4	131.390
Cl3	C1	H4	105.809

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

using model chemistry: QCISD/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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