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	hartrees
Energy at 0K	-573.487852
Energy at 298.15K	-573.488996
HF Energy	-572.864026
Nuclear repulsion energy	87.897127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3082	2924
2	A'	1809	1716
3	A'	1341	1272
4	A'	746	708
5	A'	460	436
6	A"	948	899

Atom	x (Å)	y (Å)
C1	0.000	0.798
O2	1.131	1.163
Cl3	-0.480	-0.913
H4	-0.887	1.436

	C1	O2	Cl3	H4
C1		1.1881	1.7771	1.0932
O2	1.1881		2.6277	2.0362
Cl3	1.7771	2.6277		2.3846
H4	1.0932	2.0362	2.3846

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.574		O2	C1	H4	126.351
Cl3	C1	H4	110.075

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

using model chemistry: QCISD(T)/cc-pVTZ

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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