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	hartrees
Energy at 0K	-570.951704
Energy at 298.15K	-570.952681
HF Energy	-570.951704
Nuclear repulsion energy	83.309083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3049	3021	13.61
2	A'	1768	1752	281.70
3	A'	1244	1233	31.21
4	A'	617	611	170.89
5	A'	375	371	17.58
6	A"	888	879	9.64

Atom	x (Å)	y (Å)
C1	0.000	0.882
O2	1.136	1.280
Cl3	-0.478	-0.997
H4	-0.962	1.412

	C1	O2	Cl3	H4
C1		1.2038	1.9380	1.0982
O2	1.2038		2.7906	2.1017
Cl3	1.9380	2.7906		2.4565
H4	1.0982	2.1017	2.4565

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.611		O2	C1	H4	131.797
Cl3	C1	H4	104.592

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

using model chemistry: PBEPBE/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	0.078
2	O	-0.294
3	Cl	-0.061
4	H	0.277

	x	y	z	Total
	-1.252	1.902	0.000	2.277
CHELPG
AIM
ESP

	x	y	z
x	2.908	1.231	0.000
y	1.231	5.208	0.000
z	0.000	0.000	1.182

<r²>	0.000
(<r²>)^1/2	0.000