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	hartrees
Energy at 0K	-573.236336
Energy at 298.15K	-573.237520
HF Energy	-572.781863
Nuclear repulsion energy	88.231847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	2967	34.42
2	A'	1885	1767	296.13
3	A'	1423	1335	42.17
4	A'	792	743	196.69
5	A'	483	453	6.80
6	A"	982	921	0.94

Atom	x (Å)	y (Å)
C1	0.000	0.790
O2	1.135	1.151
Cl3	-0.483	-0.905
H4	-0.878	1.439

	C1	O2	Cl3	H4
C1		1.1913	1.7623	1.0920
O2	1.1913		2.6162	2.0337
Cl3	1.7623	2.6162		2.3774
H4	1.0920	2.0337	2.3774

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.537		O2	C1	H4	125.868
Cl3	C1	H4	110.596

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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