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	hartrees
Energy at 0K	-573.233284
Energy at 298.15K	-573.234454
HF Energy	-572.779665
Nuclear repulsion energy	88.010164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	2957	32.56
2	A'	1862	1759	300.18
3	A'	1406	1327	36.54
4	A'	784	741	201.06
5	A'	479	452	7.33
6	A"	969	915	1.37

Atom	x (Å)	y (Å)
C1	0.000	0.792
O2	1.138	1.154
Cl3	-0.484	-0.907
H4	-0.882	1.444

	C1	O2	Cl3	H4
C1		1.1938	1.7669	1.0972
O2	1.1938		2.6222	2.0409
Cl3	1.7669	2.6222		2.3853
H4	1.0972	2.0409	2.3853

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.507		O2	C1	H4	125.897
Cl3	C1	H4	110.596

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

using model chemistry: CCSD/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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