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	hartrees
Energy at 0K	-566.510350
Energy at 298.15K	-566.511389
HF Energy	-566.367916
Nuclear repulsion energy	84.281344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3367	2935	4.37
2	A'	1790	1561	135.82
3	A'	1405	1225	47.50
4	A'	788	687	132.09
5	A'	464	405	8.57
6	A"	887	773	0.42

Atom	x (Å)	y (Å)
C1	0.000	0.837
O2	1.180	1.214
Cl3	-0.501	-0.953
H4	-0.924	1.470

	C1	O2	Cl3	H4
C1		1.2390	1.8582	1.1204
O2	1.2390		2.7423	2.1198
Cl3	1.8582	2.7423		2.4596
H4	1.1204	2.1198	2.4596

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.362		O2	C1	H4	127.844
Cl3	C1	H4	108.795

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

using model chemistry: MP2/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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