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	hartrees
Energy at 0K	-573.274974
Energy at 298.15K	-573.276120
HF Energy	-572.812289
Nuclear repulsion energy	87.519246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	2963	34.83
2	A'	1819	1729	297.36
3	A'	1352	1285	35.52
4	A'	751	713	214.51
5	A'	461	438	13.66
6	A"	957	909	1.26

Atom	x (Å)	y (Å)
C1	0.000	0.798
O2	1.134	1.172
Cl3	-0.480	-0.918
H4	-0.907	1.432

	C1	O2	Cl3	H4
C1		1.1936	1.7821	1.1064
O2	1.1936		2.6405	2.0571
Cl3	1.7821	2.6405		2.3882
H4	1.1064	2.0571	2.3882

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.879		O2	C1	H4	126.817
Cl3	C1	H4	109.304

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

using model chemistry: MP2=FULL/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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