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	hartrees
Energy at 0K	-609.311046
Energy at 298.15K	-609.312941
HF Energy	-609.311046
Nuclear repulsion energy	112.262647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3633	3593	80.32
2	A	1128	1116	49.60
3	A	1025	1014	75.02
4	A	642	635	96.51
5	A	436	431	108.43
6	A	318	315	2.15

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.139	-0.443	0.018
O2	1.385	0.318	-0.121
O3	-1.285	0.543	-0.015
H4	1.567	0.640	0.787

	Cl1	O2	O3	H4
Cl1		1.7091	1.5116	2.1624
O2	1.7091		2.6806	0.9801
O3	1.5116	2.6806		2.9634
H4	2.1624	0.9801	2.9634

Number	Element	Mulliken
1	Cl	0.487
2	O	-0.296
3	O	-0.413
4	H	0.222

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

using model chemistry: LSDA/cc-pVTZ

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
	1.849	-1.084	1.547	2.643
CHELPG
AIM
ESP

	x	y	z
x	5.226	-0.047	0.134
y	-0.047	2.977	0.087
z	0.134	0.087	2.325

<r²>	53.533
(<r²>)^1/2	7.317