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	hartrees
Energy at 0K	-570.418495
Energy at 298.15K	-570.419592
HF Energy	-570.052257
Nuclear repulsion energy	86.566172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	2972	29.89
2	A'	1729	1653	208.81
3	A'	1409	1347	47.97
4	A'	695	664	197.29
5	A'	435	416	19.29
6	A"	960	919	3.13

Atom	x (Å)	y (Å)
C1	0.000	0.811
O2	1.153	1.180
Cl3	-0.490	-0.926
H4	-0.898	1.431

	C1	O2	Cl3	H4
C1		1.2104	1.8045	1.0916
O2	1.2104		2.6703	2.0666
Cl3	1.8045	2.6703		2.3921
H4	1.0916	2.0666	2.3921

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.471		O2	C1	H4	127.659
Cl3	C1	H4	108.871

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

using model chemistry: CCD/3-21G*

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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