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	hartrees
Energy at 0K	-529.932987
Energy at 298.15K	-529.934080
HF Energy	-529.932987
Nuclear repulsion energy	47.981723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3621	3621	27.68	42.04	0.31	0.48
2	A'	1339	1339	19.10	8.71	0.62	0.77
3	A'	837	837	7.11	9.23	0.33	0.50

Atom	x (Å)	y (Å)
O1	0.040	1.176
H2	-0.995	1.307
Cl3	0.040	-0.631

	O1	H2	Cl3
O1		1.0433	1.8069
H2	1.0433		2.1967
Cl3	1.8069	2.1967

Number	Element	Mulliken
1	O	-0.118
2	H	0.201
3	Cl	-0.082

All results from a given calculation for HOCl (hypochlorous acid)

using model chemistry: TPSSh/STO-3G

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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	x	y	z	Total
	-1.400	1.161	0.000	1.819
CHELPG
AIM
ESP

	x	y	z
x	0.689	-0.358	0.000
y	-0.358	2.210	0.000
z	0.000	0.000	0.054

<r²>	30.572
(<r²>)^1/2	5.529