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	hartrees
Energy at 0K	-699.799934
Energy at 298.15K
HF Energy	-699.509887
Nuclear repulsion energy	284.357165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3711	3523	45.45
2	A	1194	1134	5.22
3	A	1186	1126	251.64
4	A	789	749	109.61
5	A	518	492	51.17
6	A	417	396	24.20
7	A	349	331	4.93
8	A	230	218	107.23
9	B	3707	3519	187.82
10	B	1455	1381	263.49
11	B	1199	1138	101.52
12	B	860	817	334.31
13	B	516	490	27.74
14	B	470	447	50.90
15	B	305	290	68.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.166
O2	0.000	1.282	0.835
O3	0.000	-1.282	0.835
O4	1.258	-0.045	-0.861
O5	-1.258	0.045	-0.861
H6	-1.467	-0.874	-1.117
H7	1.467	0.874	-1.117

	S1	O2	O3	O4	O5	H6	H7
S1		1.4458	1.4458	1.6242	1.6242	2.1359	2.1359
O2	1.4458		2.5633	2.4933	2.4470	3.2573	2.4758
O3	1.4458	2.5633		2.4470	2.4933	2.4758	3.2573
O4	1.6242	2.4933	2.4470		2.5168	2.8595	0.9764
O5	1.6242	2.4470	2.4933	2.5168		0.9764	2.8595
H6	2.1359	3.2573	2.4758	2.8595	0.9764		3.4151
H7	2.1359	2.4758	3.2573	0.9764	2.8595	3.4151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	107.825	S1	O5	H6	107.825
O2	S1	O3	124.866	O2	S1	O4	108.478
O2	S1	O5	105.558	O3	S1	O4	105.558
O3	S1	O5	108.478	O4	S1	O5	101.574

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	S	1.470
2	O	-0.539
3	O	-0.539
4	O	-0.669
5	O	-0.669
6	H	0.473
7	H	0.473

	x	y	z
x	3.964	0.297	0.000
y	0.297	4.608	0.000
z	0.000	0.000	3.938

<r²>	104.976
(<r²>)^1/2	10.246

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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