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	hartrees
Energy at 0K	-573.302000
Energy at 298.15K	-573.303129
HF Energy	-572.822582
Nuclear repulsion energy	87.297174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3119	2991	14.87
2	A'	1763	1691	320.38
3	A'	1321	1267	30.15
4	A'	736	706	229.78
5	A'	452	433	14.26
6	A"	938	899	3.35

Atom	x (Å)	y (Å)
C1	0.000	0.803
O2	1.142	1.167
Cl3	-0.484	-0.917
H4	-0.899	1.442

	C1	O2	Cl3	H4
C1		1.1989	1.7869	1.1037
O2	1.1989		2.6442	2.0598
Cl3	1.7869	2.6442		2.3959
H4	1.1037	2.0598	2.3959

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.451		O2	C1	H4	126.857
Cl3	C1	H4	109.693

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

using model chemistry: MP2/aug-cc-pVDZ

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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