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	hartrees
Energy at 0K	-573.467179
Energy at 298.15K	-573.468352
HF Energy	-572.867426
Nuclear repulsion energy	88.511967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3105	2971	15.00
2	A'	1871	1791	343.11
3	A'	1368	1309	35.47
4	A'	768	735	206.44
5	A'	475	455	6.80
6	A"	973	932	2.29

Atom	x (Å)	y (Å)
C1	0.000	0.793
O2	1.124	1.151
Cl3	-0.477	-0.906
H4	-0.882	1.436

	C1	O2	Cl3	H4
C1		1.1796	1.7645	1.0923
O2	1.1796		2.6068	2.0263
Cl3	1.7645	2.6068		2.3773
H4	1.0923	2.0263	2.3773

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.388		O2	C1	H4	126.186
Cl3	C1	H4	110.426

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

using model chemistry: CCD/aug-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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