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	hartrees
Energy at 0K	-573.569195
Energy at 298.15K	-573.570347
HF Energy	-572.866987
Nuclear repulsion energy	88.310836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3104	2991
2	A'	1817	1751
3	A'	1336	1288
4	A'	752	725
5	A'	463	446
6	A"	961	926

Atom	x (Å)	y (Å)
C1	0.000	0.793
O2	1.127	1.156
Cl3	-0.479	-0.908
H4	-0.881	1.431

	C1	O2	Cl3	H4
C1		1.1844	1.7670	1.0877
O2	1.1844		2.6151	2.0271
Cl3	1.7670	2.6151		2.3732
H4	1.0877	2.0271	2.3732

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.557		O2	C1	H4	126.253
Cl3	C1	H4	110.190

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

using model chemistry: CCSD(T)=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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