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	hartrees
Energy at 0K	-36.359564
Energy at 298.15K	-36.360754
HF Energy	-36.359564
Nuclear repulsion energy	32.200194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3015	14.97
2	A'	1864	1701	491.02
3	A'	1450	1324	74.23
4	A'	766	699	238.80
5	A'	479	437	8.31
6	A"	1026	936	1.61

Atom	x (Å)	y (Å)
C1	0.000	0.822
O2	1.143	1.172
Cl3	-0.487	-0.927
H4	-0.871	1.461

	C1	O2	Cl3	H4
C1		1.1953	1.8155	1.0807
O2	1.1953		2.6575	2.0348
Cl3	1.8155	2.6575		2.4192
H4	1.0807	2.0348	2.4192

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	122.586		O2	C1	H4	126.691
Cl3	C1	H4	110.723

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

using model chemistry: HF/CEP-121G

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	0.030
2	O	-0.162
3	Cl	-0.066
4	H	0.198

	x	y	z	Total
	-2.249	1.373	0.000	2.635
CHELPG
AIM
ESP

	x	y	z
x	3.303	1.181	0.000
y	1.181	4.621	0.000
z	0.000	0.000	1.442

<r²>	0.000
(<r²>)^1/2	0.000