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	hartrees
Energy at 0K	-566.510891
Energy at 298.15K	-566.511930
HF Energy	-566.367939
Nuclear repulsion energy	84.289003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3367	2993	4.39
2	A'	1791	1592	135.79
3	A'	1405	1249	47.46
4	A'	788	700	132.06
5	A'	464	413	8.57
6	A"	887	788	0.42

Atom	x (Å)	y (Å)
C1	0.000	0.836
O2	1.180	1.213
Cl3	-0.501	-0.953
H4	-0.924	1.470

	C1	O2	Cl3	H4
C1		1.2389	1.8579	1.1203
O2	1.2389		2.7420	2.1196
Cl3	1.8579	2.7420		2.4594
H4	1.1203	2.1196	2.4594

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.365		O2	C1	H4	127.832
Cl3	C1	H4	108.803

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

using model chemistry: MP2=FULL/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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