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	hartrees
Energy at 0K	-573.185386
Energy at 298.15K	-573.186581
HF Energy	-572.780739
Nuclear repulsion energy	88.518389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	2968	31.25
2	A'	1926	1783	345.33
3	A'	1436	1330	42.04
4	A'	803	744	215.95
5	A'	491	455	7.21
6	A"	1005	930	0.77

Atom	x (Å)	y (Å)
C1	0.000	0.789
O2	1.129	1.148
Cl3	-0.480	-0.903
H4	-0.878	1.437

	C1	O2	Cl3	H4
C1		1.1849	1.7588	1.0915
O2	1.1849		2.6069	2.0280
Cl3	1.7588	2.6069		2.3742
H4	1.0915	2.0280	2.3742

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.465		O2	C1	H4	125.921
Cl3	C1	H4	110.614

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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