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	hartrees
Energy at 0K	-573.326557
Energy at 298.15K	-573.327724
HF Energy	-572.835797
Nuclear repulsion energy	88.041207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3099	2957	37.37
2	A'	1849	1764	332.17
3	A'	1392	1328	43.36
4	A'	764	729	211.79
5	A'	473	452	9.22
6	A"	968	924	1.22

Atom	x (Å)	y (Å)
C1	0.000	0.798
O2	1.128	1.160
Cl3	-0.478	-0.912
H4	-0.890	1.439

	C1	O2	Cl3	H4
C1		1.1844	1.7753	1.0972
O2	1.1844		2.6217	2.0369
Cl3	1.7753	2.6217		2.3870
H4	1.0972	2.0369	2.3870

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.459		O2	C1	H4	126.391
Cl3	C1	H4	110.150

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

using model chemistry: QCISD/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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