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	hartrees
Energy at 0K	-572.783337
Energy at 298.15K	-572.784572
HF Energy	-572.783337
Nuclear repulsion energy	89.230797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	2958	30.30
2	A'	2042	1843	443.68
3	A'	1482	1337	59.15
4	A'	826	746	245.76
5	A'	511	461	7.21
6	A"	1070	966	0.03

Atom	x (Å)	y (Å)
C1	0.000	0.790
O2	1.111	1.142
Cl3	-0.471	-0.901
H4	-0.875	1.431

	C1	O2	Cl3	H4
C1		1.1652	1.7557	1.0843
O2	1.1652		2.5841	2.0063
Cl3	1.7557	2.5841		2.3668
H4	1.0843	2.0063	2.3668

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.150		O2	C1	H4	126.190
Cl3	C1	H4	110.660

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.267
2	O	-0.385
3	Cl	-0.055
4	H	0.172

	x	y	z	Total
	-2.040	0.849	0.000	2.209
CHELPG
AIM
ESP

	x	y	z
x	3.273	0.843	0.000
y	0.843	4.352	0.000
z	0.000	0.000	1.720

<r²>	0.000
(<r²>)^1/2	0.000