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	hartrees
Energy at 0K	-700.149979
Energy at 298.15K	-700.155074
Nuclear repulsion energy	286.447991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3771	3631	51.68
2	A	1204	1159	133.13
3	A	1159	1116	135.86
4	A	796	766	130.92
5	A	523	503	69.23
6	A	443	427	40.92
7	A	367	354	9.58
8	A	274	264	85.60
9	B	3768	3627	145.12
10	B	1459	1405	304.31
11	B	1174	1130	94.87
12	B	855	823	372.71
13	B	531	511	25.95
14	B	479	461	61.18
15	B	336	323	86.89

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.167
O2	0.000	1.270	0.832
O3	0.000	-1.270	0.832
O4	1.248	-0.054	-0.852
O5	-1.248	0.054	-0.852
H6	-1.458	-0.833	-1.177
H7	1.458	0.833	-1.177

	S1	O2	O3	O4	O5	H6	H7
S1		1.4332	1.4332	1.6122	1.6122	2.1511	2.1511
O2	1.4332		2.5393	2.4787	2.4232	3.2534	2.5205
O3	1.4332	2.5393		2.4232	2.4787	2.5205	3.2534
O4	1.6122	2.4787	2.4232		2.4991	2.8353	0.9677
O5	1.6122	2.4232	2.4787	2.4991		0.9677	2.8353
H6	2.1511	3.2534	2.5205	2.8353	0.9677		3.3587
H7	2.1511	2.5205	3.2534	0.9677	2.8353	3.3587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	110.479	S1	O5	H6	110.479
O2	S1	O3	124.724	O2	S1	O4	108.818
O2	S1	O5	105.289	O3	S1	O4	105.289
O3	S1	O5	108.818	O4	S1	O5	101.619

All results from a given calculation for H₂SO₄ (Sulfuric acid)

using model chemistry: B3PW91/6-311G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	S	1.234
2	O	-0.462
3	O	-0.462
4	O	-0.611
5	O	-0.611
6	H	0.455
7	H	0.455

	x	y	z	Total
	0.000	0.000	-3.363	3.363
CHELPG
AIM
ESP

<r²>	104.032
(<r²>)^1/2	10.200

All results from a given calculation for H2SO4 (Sulfuric acid)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for H₂SO₄ (Sulfuric acid)