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	hartrees
Energy at 0K	-573.387333
Energy at 298.15K	-573.388488
HF Energy	-572.833617
Nuclear repulsion energy	87.967335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	2953	33.95
2	A'	1818	1722	317.19
3	A'	1392	1318	38.80
4	A'	757	717	231.71
5	A'	469	444	15.30
6	A"	962	911	2.51

Atom	x (Å)	y (Å)
C1	0.000	0.796
O2	1.129	1.163
Cl3	-0.479	-0.913
H4	-0.891	1.434

	C1	O2	Cl3	H4
C1		1.1874	1.7745	1.0960
O2	1.1874		2.6258	2.0387
Cl3	1.7745	2.6258		2.3823
H4	1.0960	2.0387	2.3823

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.661		O2	C1	H4	126.415
Cl3	C1	H4	109.924

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

using model chemistry: MP2=FULL/6-311G*

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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