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	hartrees
Energy at 0K	-573.492528
Energy at 298.15K	-573.493655
HF Energy	-572.863159
Nuclear repulsion energy	87.574750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3070	2976
2	A'	1761	1706
3	A'	1330	1289
4	A'	734	711
5	A'	449	436
6	A"	942	913

Atom	x (Å)	y (Å)
C1	0.000	0.799
O2	1.134	1.170
Cl3	-0.481	-0.917
H4	-0.893	1.432

	C1	O2	Cl3	H4
C1		1.1933	1.7825	1.0944
O2	1.1933		2.6396	2.0437
Cl3	1.7825	2.6396		2.3852
H4	1.0944	2.0437	2.3852

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.789		O2	C1	H4	126.532
Cl3	C1	H4	109.680

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

using model chemistry: MP4/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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