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	hartrees
Energy at 0K	-572.947249
Energy at 298.15K	-572.948331
HF Energy	-572.692369
Nuclear repulsion energy	85.131853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3010	17.02
2	A'	1771	1661	340.11
3	A'	1381	1295	60.13
4	A'	682	640	207.11
5	A'	428	402	16.35
6	A"	947	888	3.94

Atom	x (Å)	y (Å)
C1	0.000	0.847
O2	1.151	1.209
Cl3	-0.489	-0.954
H4	-0.896	1.465

	C1	O2	Cl3	H4
C1		1.2069	1.8655	1.0885
O2	1.2069		2.7142	2.0630
Cl3	1.8655	2.7142		2.4525
H4	1.0885	2.0630	2.4525

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	122.665		O2	C1	H4	127.922
Cl3	C1	H4	109.413

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

using model chemistry: CISD/6-31G

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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