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	hartrees
Energy at 0K	-573.228466
Energy at 298.15K	-573.229642
HF Energy	-572.779982
Nuclear repulsion energy	88.163652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	2965	32.26
2	A'	1884	1783	296.78
3	A'	1412	1337	39.20
4	A'	790	748	199.53
5	A'	483	457	7.02
6	A"	974	922	1.34

Atom	x (Å)	y (Å)
C1	0.000	0.791
O2	1.136	1.151
Cl3	-0.483	-0.906
H4	-0.881	1.445

	C1	O2	Cl3	H4
C1		1.1913	1.7639	1.0975
O2	1.1913		2.6170	2.0384
Cl3	1.7639	2.6170		2.3842
H4	1.0975	2.0384	2.3842

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.468		O2	C1	H4	125.835
Cl3	C1	H4	110.697

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

using model chemistry: CCD/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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