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	hartrees
Energy at 0K	-573.252630
Energy at 298.15K	-573.253799
HF Energy	-572.785479
Nuclear repulsion energy	88.048607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	2977	22.45
2	A'	1782	1674	328.33
3	A'	1398	1313	32.34
4	A'	778	731	228.50
5	A'	474	445	10.72
6	A"	973	914	3.25

Atom	x (Å)	y (Å)
C1	0.000	0.786
O2	1.146	1.150
Cl3	-0.488	-0.903
H4	-0.875	1.438

	C1	O2	Cl3	H4
C1		1.2022	1.7577	1.0912
O2	1.2022		2.6232	2.0413
Cl3	1.7577	2.6232		2.3724
H4	1.0912	2.0413	2.3724

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.724		O2	C1	H4	125.698
Cl3	C1	H4	110.578

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

using model chemistry: MP2=FULL/6-31+G**

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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