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	hartrees
Energy at 0K	-610.712556
Energy at 298.15K	-610.714325
HF Energy	-610.712556
Nuclear repulsion energy	108.161880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3567	42.61
2	A	1112	1097	52.19
3	A	949	936	51.58
4	A	558	551	68.16
5	A	431	425	119.36
6	A	282	278	3.77

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.147	-0.437	0.019
O2	1.470	0.312	-0.121
O3	-1.360	0.535	-0.017
H4	1.628	0.653	0.789

	Cl1	O2	O3	H4
Cl1		1.7879	1.5555	2.2205
O2	1.7879		2.8411	0.9841
O3	1.5555	2.8411		3.0970
H4	2.2205	0.9841	3.0970

Number	Element	Mulliken
1	Cl	0.662
2	O	-0.512
3	O	-0.487
4	H	0.337

All results from a given calculation for HOClO (Chlorous acid)

using model chemistry: PBEPBE/6-31G**

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	1.650	-1.028	1.604	2.520
CHELPG
AIM
ESP

	x	y	z
x	5.312	-0.039	0.164
y	-0.039	2.466	0.122
z	0.164	0.122	1.966

<r²>	57.052
(<r²>)^1/2	7.553