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	hartrees
Energy at 0K	-572.879122
Energy at 298.15K	-572.880352
HF Energy	-572.879122
Nuclear repulsion energy	89.460243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	2939	19.98
2	A'	2015	1830	465.16
3	A'	1461	1327	50.77
4	A'	809	735	242.95
5	A'	506	459	7.00
6	A"	1072	974	0.35

Atom	x (Å)	y (Å)
C1	0.000	0.791
O2	1.101	1.146
Cl3	-0.466	-0.902
H4	-0.877	1.427

	C1	O2	Cl3	H4
C1		1.1563	1.7565	1.0832
O2	1.1563		2.5786	1.9978
Cl3	1.7565	2.5786		2.3649
H4	1.0832	1.9978	2.3649

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.240		O2	C1	H4	126.238
Cl3	C1	H4	110.522

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

using model chemistry: HF/cc-pVQZ

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	0.315
2	O	-0.303
3	Cl	-0.109
4	H	0.097

	x	y	z	Total
	-1.992	0.682	0.000	2.105
CHELPG
AIM
ESP

	x	y	z
x	4.094	0.792	0.000
y	0.792	5.038	0.000
z	0.000	0.000	2.824

<r²>	0.000
(<r²>)^1/2	0.000