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	hartrees
Energy at 0K	-611.034868
Energy at 298.15K	-611.036739
HF Energy	-611.034868
Nuclear repulsion energy	111.411247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3727	3559	65.75
2	A	1229	1173	55.77
3	A	999	954	67.12
4	A	649	620	83.82
5	A	422	403	144.28
6	A	311	297	4.56

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.136	-0.438	0.021
O2	1.404	0.310	-0.119
O3	-1.310	0.534	-0.019
H4	1.567	0.702	0.757

	Cl1	O2	O3	H4
Cl1		1.7180	1.5248	2.1780
O2	1.7180		2.7254	0.9736
O3	1.5248	2.7254		2.9849
H4	2.1780	0.9736	2.9849

Number	Element	Mulliken
1	Cl	0.750
2	O	-0.637
3	O	-0.552
4	H	0.439

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

using model chemistry: B1B95/6-31G**

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
	1.909	-1.127	1.676	2.779
CHELPG
AIM
ESP

	x	y	z
x	4.844	-0.046	0.137
y	-0.046	2.403	0.119
z	0.137	0.119	1.873

<r²>	54.185
(<r²>)^1/2	7.361