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	hartrees
Energy at 0K	-574.190070
Energy at 298.15K	-574.191188
HF Energy	-574.190070
Nuclear repulsion energy	87.433365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3060	2954	21.44
2	A'	1860	1795	402.71
3	A'	1335	1289	33.80
4	A'	717	692	216.93
5	A'	445	430	17.08
6	A"	948	915	2.18

Atom	x (Å)	y (Å)
C1	0.000	0.812
O2	1.117	1.184
Cl3	-0.473	-0.928
H4	-0.901	1.434

	C1	O2	Cl3	H4
C1		1.1776	1.8040	1.0951
O2	1.1776		2.6442	2.0342
Cl3	1.8040	2.6442		2.4014
H4	1.0951	2.0342	2.4014

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.595		O2	C1	H4	126.991
Cl3	C1	H4	109.415

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

using model chemistry: B3LYP/TZVP

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	0.147
2	O	-0.198
3	Cl	-0.091
4	H	0.143

	x	y	z	Total
	-1.749	0.856	0.000	1.947
CHELPG
AIM
ESP

	x	y	z
x	3.798	1.089	0.000
y	1.089	5.279	0.000
z	0.000	0.000	2.165

<r²>	61.605
(<r²>)^1/2	7.849