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	hartrees
Energy at 0K	-573.241239
Energy at 298.15K	-573.242404
HF Energy	-572.780907
Nuclear repulsion energy	87.928408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	2961	34.29
2	A'	1812	1693	281.89
3	A'	1408	1315	35.42
4	A'	775	724	220.13
5	A'	471	440	11.96
6	A"	976	912	1.37

Atom	x (Å)	y (Å)
C1	0.000	0.790
O2	1.141	1.157
Cl3	-0.485	-0.907
H4	-0.885	1.429

	C1	O2	Cl3	H4
C1		1.1987	1.7651	1.0914
O2	1.1987		2.6281	2.0437
Cl3	1.7651	2.6281		2.3705
H4	1.0914	2.0437	2.3705

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.802		O2	C1	H4	126.284
Cl3	C1	H4	109.914

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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