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	hartrees
Energy at 0K	-574.133384
Energy at 298.15K	-574.134500
HF Energy	-574.133384
Nuclear repulsion energy	87.649707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	2968	22.60
2	A'	1853	1788	332.02
3	A'	1329	1282	31.99
4	A'	723	698	204.78
5	A'	445	429	11.90
6	A"	946	913	2.04

Atom	x (Å)	y (Å)
C1	0.000	0.799
O2	1.123	1.171
Cl3	-0.475	-0.917
H4	-0.901	1.426

	C1	O2	Cl3	H4
C1		1.1829	1.7805	1.0979
O2	1.1829		2.6297	2.0397
Cl3	1.7805	2.6297		2.3814
H4	1.0979	2.0397	2.3814

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.840		O2	C1	H4	126.806
Cl3	C1	H4	109.354

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

using model chemistry: TPSSh/6-31G(2df,p)

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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