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	hartrees
Energy at 0K	-570.054305
Energy at 298.15K	-570.055489
HF Energy	-570.054305
Nuclear repulsion energy	88.336670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3316	2993	24.37
2	A'	1916	1729	316.23
3	A'	1493	1348	55.12
4	A'	754	680	239.39
5	A'	478	432	12.31
6	A"	1069	964	1.34

Atom	x (Å)	y (Å)
C1	0.000	0.796
O2	1.130	1.153
Cl3	-0.480	-0.907
H4	-0.875	1.418

	C1	O2	Cl3	H4
C1		1.1847	1.7694	1.0736
O2	1.1847		2.6146	2.0220
Cl3	1.7694	2.6146		2.3583
H4	1.0736	2.0220	2.3583

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.299		O2	C1	H4	127.042
Cl3	C1	H4	109.659

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.255
2	O	-0.462
3	Cl	-0.057
4	H	0.264

	x	y	z	Total
	-2.057	0.925	0.000	2.255
CHELPG
AIM
ESP

	x	y	z
x	3.079	0.905	0.000
y	0.905	4.101	0.000
z	0.000	0.000	1.411

<r²>	0.000
(<r²>)^1/2	0.000