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	hartrees
Energy at 0K	-573.443100
Energy at 298.15K	-573.444252
HF Energy	-572.864144
Nuclear repulsion energy	88.088490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	2954	21.86
2	A'	1800	1710	299.50
3	A'	1350	1282	31.10
4	A'	752	714	220.91
5	A'	463	439	12.32
6	A"	962	914	2.10

Atom	x (Å)	y (Å)
C1	0.000	0.794
O2	1.130	1.161
Cl3	-0.479	-0.910
H4	-0.890	1.426

	C1	O2	Cl3	H4
C1		1.1882	1.7700	1.0920
O2	1.1882		2.6228	2.0374
Cl3	1.7700	2.6228		2.3724
H4	1.0920	2.0374	2.3724

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.709		O2	C1	H4	126.596
Cl3	C1	H4	109.695

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

using model chemistry: MP2/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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