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	hartrees
Energy at 0K	-573.318596
Energy at 298.15K	-573.319778
HF Energy	-572.836361
Nuclear repulsion energy	88.368493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3106	2966	35.52
2	A'	1890	1805	333.42
3	A'	1406	1343	49.07
4	A'	777	742	207.90
5	A'	483	461	7.94
6	A"	978	934	1.27

Atom	x (Å)	y (Å)
C1	0.000	0.795
O2	1.124	1.155
Cl3	-0.477	-0.908
H4	-0.888	1.439

	C1	O2	Cl3	H4
C1		1.1798	1.7685	1.0972
O2	1.1798		2.6107	2.0314
Cl3	1.7685	2.6107		2.3836
H4	1.0972	2.0314	2.3836

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.389		O2	C1	H4	126.253
Cl3	C1	H4	110.357

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

using model chemistry: CCD/6-311G**

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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