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	hartrees
Energy at 0K	-573.504587
Energy at 298.15K	-573.505751
HF Energy	-572.864604
Nuclear repulsion energy	88.385856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	2972	21.80
2	A'	1811	1719	300.62
3	A'	1366	1297	30.67
4	A'	761	723	219.93
5	A'	468	444	11.74
6	A"	978	928	2.08

Atom	x (Å)	y (Å)
C1	0.000	0.790
O2	1.127	1.156
Cl3	-0.479	-0.907
H4	-0.884	1.421

	C1	O2	Cl3	H4
C1		1.1855	1.7629	1.0865
O2	1.1855		2.6145	2.0291
Cl3	1.7629	2.6145		2.3630
H4	1.0865	2.0291	2.3630

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.757		O2	C1	H4	126.470
Cl3	C1	H4	109.772

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

using model chemistry: MP2=FULL/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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