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	hartrees
Energy at 0K	-698.263887
Energy at 298.15K	-698.269425
Nuclear repulsion energy	297.146286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4118	3742	70.36
2	A	1364	1239	238.10
3	A	1247	1133	97.22
4	A	979	890	108.99
5	A	629	571	75.30
6	A	489	445	10.89
7	A	427	388	1.09
8	A	272	247	125.68
9	B	4113	3737	331.16
10	B	1605	1459	415.93
11	B	1270	1154	121.15
12	B	1024	930	376.16
13	B	643	584	61.91
14	B	564	513	47.14
15	B	351	319	71.54

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.146
O2	0.000	1.220	0.810
O3	0.000	-1.220	0.810
O4	1.201	-0.029	-0.820
O5	-1.201	0.029	-0.820
H6	-1.456	-0.842	-1.086
H7	1.456	0.842	-1.086

	S1	O2	O3	O4	O5	H6	H7
S1		1.3886	1.3886	1.5419	1.5419	2.0847	2.0847
O2	1.3886		2.4395	2.3792	2.3489	3.1565	2.4197
O3	1.3886	2.4395		2.3489	2.3792	2.4197	3.1565
O4	1.5419	2.3792	2.3489		2.4027	2.7910	0.9458
O5	1.5419	2.3489	2.3792	2.4027		0.9458	2.7910
H6	2.0847	3.1565	2.4197	2.7910	0.9458		3.3637
H7	2.0847	2.4197	3.1565	0.9458	2.7910	3.3637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	111.602	S1	O5	H6	111.602
O2	S1	O3	122.896	O2	S1	O4	108.441
O2	S1	O5	106.435	O3	S1	O4	106.435
O3	S1	O5	108.441	O4	S1	O5	102.359

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

using model chemistry: HF/6-311+G(3df,2p)

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	1.502
2	O	-0.624
3	O	-0.624
4	O	-0.389
5	O	-0.389
6	H	0.262
7	H	0.262

	x	y	z	Total
	0.000	0.000	-3.566	3.566
CHELPG
AIM
ESP

	x	y	z
x	4.296	0.180	0.000
y	0.180	4.625	0.000
z	0.000	0.000	4.278

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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