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	hartrees
Energy at 0K	-572.400413
Energy at 298.15K	-572.401529
HF Energy	-572.400413
Nuclear repulsion energy	87.887945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2964	2931	23.71
2	A'	1861	1840	326.38
3	A'	1246	1232	19.27
4	A'	737	728	189.18
5	A'	452	447	8.95
6	A"	908	898	2.88

Atom	x (Å)	y (Å)
C1	0.000	0.796
O2	1.126	1.167
Cl3	-0.476	-0.914
H4	-0.920	1.432

	C1	O2	Cl3	H4
C1		1.1858	1.7751	1.1185
O2	1.1858		2.6264	2.0634
Cl3	1.7751	2.6264		2.3879
H4	1.1185	2.0634	2.3879

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.782		O2	C1	H4	127.111
Cl3	C1	H4	109.108

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

using model chemistry: LSDA/cc-pVDZ

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	0.023
2	O	-0.067
3	Cl	-0.064
4	H	0.109

	x	y	z	Total
	-1.509	0.712	0.000	1.668
CHELPG
AIM
ESP

	x	y	z
x	3.408	0.979	0.000
y	0.979	4.982	0.000
z	0.000	0.000	1.772

<r²>	0.000
(<r²>)^1/2	0.000