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	hartrees
Energy at 0K	-37.144783
Energy at 298.15K	-37.145891
HF Energy	-37.144783
Nuclear repulsion energy	32.105794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3084	2978	35.48
2	A'	1845	1781	416.27
3	A'	1323	1278	35.90
4	A'	727	702	210.06
5	A'	448	433	11.27
6	A"	930	898	5.09

Atom	x (Å)	y (Å)
C1	0.000	0.811
O2	1.140	1.185
Cl3	-0.484	-0.929
H4	-0.902	1.453

	C1	O2	Cl3	H4
C1		1.2002	1.8061	1.1073
O2	1.2002		2.6663	2.0598
Cl3	1.8061	2.6663		2.4188
H4	1.1073	2.0598	2.4188

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.722		O2	C1	H4	126.361
Cl3	C1	H4	109.916

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

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	-0.134
2	O	-0.009
3	Cl	-0.083
4	H	0.227

	x	y	z	Total
	-1.862	0.848	0.000	2.046
CHELPG
AIM
ESP

	x	y	z
x	3.306	1.205	0.000
y	1.205	5.089	0.000
z	0.000	0.000	1.800

<r²>	0.000
(<r²>)^1/2	0.000