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	hartrees
Energy at 0K	-573.243480
Energy at 298.15K	-573.244651
HF Energy	-572.781242
Nuclear repulsion energy	87.931409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	2970	36.62
2	A'	1846	1737	297.66
3	A'	1410	1327	36.70
4	A'	780	734	201.10
5	A'	475	447	7.74
6	A"	973	916	0.87

Atom	x (Å)	y (Å)
C1	0.000	0.792
O2	1.139	1.156
Cl3	-0.484	-0.908
H4	-0.880	1.439

	C1	O2	Cl3	H4
C1		1.1959	1.7681	1.0923
O2	1.1959		2.6264	2.0390
Cl3	1.7681	2.6264		2.3805
H4	1.0923	2.0390	2.3805

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.624		O2	C1	H4	125.966
Cl3	C1	H4	110.410

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

using model chemistry: QCISD/6-31G**

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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