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	hartrees
Energy at 0K	-573.545861
Energy at 298.15K	-573.547008
HF Energy	-572.877347
Nuclear repulsion energy	88.190655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3079	2986
2	A'	1816	1761
3	A'	1340	1300
4	A'	751	728
5	A'	462	448
6	A"	952	923

Atom	x (Å)	y (Å)
C1	0.000	0.796
O2	1.127	1.157
Cl3	-0.478	-0.910
H4	-0.887	1.435

	C1	O2	Cl3	H4
C1		1.1838	1.7713	1.0935
O2	1.1838		2.6173	2.0332
Cl3	1.7713	2.6173		2.3805
H4	1.0935	2.0332	2.3805

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.447		O2	C1	H4	126.411
Cl3	C1	H4	110.142

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

using model chemistry: CCSD(T)/cc-pVQZ

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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