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	hartrees
Energy at 0K	-573.235632
Energy at 298.15K	-573.236794
HF Energy	-572.779351
Nuclear repulsion energy	87.862010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	2977	34.35
2	A'	1845	1757	298.31
3	A'	1400	1333	34.17
4	A'	778	741	203.85
5	A'	474	452	8.01
6	A"	966	920	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.793
O2	1.139	1.156
Cl3	-0.484	-0.909
H4	-0.883	1.445

	C1	O2	Cl3	H4
C1		1.1959	1.7699	1.0976
O2	1.1959		2.6273	2.0432
Cl3	1.7699	2.6273		2.3873
H4	1.0976	2.0432	2.3873

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.561		O2	C1	H4	125.914
Cl3	C1	H4	110.525

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

using model chemistry: QCISD/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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