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	hartrees
Energy at 0K	-573.525333
Energy at 298.15K	-573.526490
HF Energy	-572.866878
Nuclear repulsion energy	88.465516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3132	2980	14.65
2	A'	1797	1710	317.94
3	A'	1342	1276	29.34
4	A'	757	720	225.22
5	A'	466	443	10.89
6	A"	969	922	3.11

Atom	x (Å)	y (Å)
C1	0.000	0.797
O2	1.126	1.160
Cl3	-0.478	-0.910
H4	-0.891	1.418

	C1	O2	Cl3	H4
C1		1.1831	1.7732	1.0857
O2	1.1831		2.6186	2.0333
Cl3	1.7732	2.6186		2.3651
H4	1.0857	2.0333	2.3651

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.458		O2	C1	H4	127.276
Cl3	C1	H4	109.265

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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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