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	hartrees
Energy at 0K	-611.006216
Energy at 298.15K	-611.008084
HF Energy	-611.006216
Nuclear repulsion energy	111.204875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3733	3540	66.19
2	A	1234	1170	55.38
3	A	1000	948	66.65
4	A	650	617	83.51
5	A	423	402	144.84
6	A	312	295	4.55

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.136	-0.439	0.021
O2	1.407	0.310	-0.119
O3	-1.313	0.534	-0.019
H4	1.569	0.703	0.757

	Cl1	O2	O3	H4
Cl1		1.7212	1.5278	2.1809
O2	1.7212		2.7311	0.9740
O3	1.5278	2.7311		2.9902
H4	2.1809	0.9740	2.9902

Number	Element	Mulliken
1	Cl	0.755
2	O	-0.641
3	O	-0.555
4	H	0.442

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

using model chemistry: mPW1PW91/6-31G*

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
	1.917	-1.125	1.680	2.787
CHELPG
AIM
ESP

	x	y	z
x	4.864	-0.051	0.132
y	-0.051	2.409	0.117
z	0.132	0.117	1.872

<r²>	54.368
(<r²>)^1/2	7.373