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	hartrees
Energy at 0K	-573.349106
Energy at 298.15K	-573.350232
HF Energy	-572.822674
Nuclear repulsion energy	87.250314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3088	2999
2	A'	1778	1726
3	A'	1312	1274
4	A'	735	714
5	A'	452	439
6	A"	925	898

Atom	x (Å)	y (Å)
C1	0.000	0.804
O2	1.141	1.168
Cl3	-0.484	-0.919
H4	-0.896	1.451

	C1	O2	Cl3	H4
C1		1.1976	1.7897	1.1051
O2	1.1976		2.6450	2.0565
Cl3	1.7897	2.6450		2.4052
H4	1.1051	2.0565	2.4052

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.391		O2	C1	H4	126.484
Cl3	C1	H4	110.125

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

using model chemistry: CCSD(T)=FULL/aug-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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