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	hartrees
Energy at 0K	-572.969816
Energy at 298.15K	-572.970834
HF Energy	-572.689378
Nuclear repulsion energy	83.913408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3032	18.25
2	A'	1666	1583	302.85
3	A'	1352	1284	60.39
4	A'	640	608	221.28
5	A'	393	373	37.70
6	A"	920	874	5.41

Atom	x (Å)	y (Å)
C1	0.000	0.862
O2	1.161	1.237
Cl3	-0.492	-0.972
H4	-0.914	1.456

	C1	O2	Cl3	H4
C1		1.2198	1.8992	1.0904
O2	1.2198		2.7596	2.0862
Cl3	1.8992	2.7596		2.4650
H4	1.0904	2.0862	2.4650

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	122.955		O2	C1	H4	129.036
Cl3	C1	H4	108.008

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

using model chemistry: MP2=FULL/6-31G

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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