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	hartrees
Energy at 0K	-573.297333
Energy at 298.15K	-573.298470
HF Energy	-572.812060
Nuclear repulsion energy	87.322765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3073	3008
2	A'	1825	1786
3	A'	1342	1314
4	A'	745	729
5	A'	457	448
6	A"	941	921

Atom	x (Å)	y (Å)
C1	0.000	0.802
O2	1.134	1.175
Cl3	-0.480	-0.921
H4	-0.907	1.442

	C1	O2	Cl3	H4
C1		1.1937	1.7887	1.1101
O2	1.1937		2.6454	2.0584
Cl3	1.7887	2.6454		2.4015
H4	1.1101	2.0584	2.4015

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.770		O2	C1	H4	126.586
Cl3	C1	H4	109.644

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

using model chemistry: CCSD(T)/cc-pVDZ

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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