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	hartrees
Energy at 0K	-573.233458
Energy at 298.15K	-573.234617
HF Energy	-572.779053
Nuclear repulsion energy	87.870317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	2973	31.84
2	A'	1812	1707	282.78
3	A'	1404	1323	33.49
4	A'	773	729	223.28
5	A'	471	443	12.37
6	A"	972	915	1.77

Atom	x (Å)	y (Å)
C1	0.000	0.791
O2	1.142	1.157
Cl3	-0.485	-0.908
H4	-0.887	1.434

	C1	O2	Cl3	H4
C1		1.1988	1.7667	1.0956
O2	1.1988		2.6287	2.0474
Cl3	1.7667	2.6287		2.3760
H4	1.0956	2.0474	2.3760

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.720		O2	C1	H4	126.284
Cl3	C1	H4	109.997

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

using model chemistry: MP2=FULL/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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