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	hartrees
Energy at 0K	-571.292497
Energy at 298.15K	-571.293583
HF Energy	-571.292497
Nuclear repulsion energy	86.689627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	2975	27.02
2	A'	1777	1705	275.59
3	A'	1365	1310	26.10
4	A'	687	659	208.11
5	A'	427	410	20.18
6	A"	965	926	5.40

Atom	x (Å)	y (Å)
C1	0.000	0.811
O2	1.141	1.191
Cl3	-0.483	-0.930
H4	-0.913	1.409

	C1	O2	Cl3	H4
C1		1.2026	1.8063	1.0919
O2	1.2026		2.6710	2.0657
Cl3	1.8063	2.6710		2.3782
H4	1.0919	2.0657	2.3782

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.938		O2	C1	H4	128.335
Cl3	C1	H4	107.727

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

using model chemistry: B3PW91/3-21G*

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	0.125
2	O	-0.354
3	Cl	-0.035
4	H	0.264

	x	y	z	Total
	-1.618	1.046	0.000	1.926
CHELPG
AIM
ESP

	x	y	z
x	3.164	1.037	0.000
y	1.037	4.650	0.000
z	0.000	0.000	1.474

<r²>	0.000
(<r²>)^1/2	0.000