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	hartrees
Energy at 0K	-573.322564
Energy at 298.15K	-573.323717
HF Energy	-572.846532
Nuclear repulsion energy	87.783481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	2970	25.25
2	A'	1799	1706	320.01
3	A'	1390	1317	37.44
4	A'	751	712	226.55
5	A'	464	440	15.61
6	A"	961	911	1.78

Atom	x (Å)	y (Å)
C1	0.000	0.799
O2	1.131	1.166
Cl3	-0.480	-0.915
H4	-0.888	1.435

	C1	O2	Cl3	H4
C1		1.1890	1.7804	1.0923
O2	1.1890		2.6316	2.0373
Cl3	1.7804	2.6316		2.3853
H4	1.0923	2.0373	2.3853

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.581		O2	C1	H4	126.469
Cl3	C1	H4	109.950

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

using model chemistry: MP2/TZVP

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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