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	hartrees
Energy at 0K	-699.906133
Energy at 298.15K	-699.909437
Nuclear repulsion energy	251.834622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3366	3340	30.11
2	A	1061	1053	38.62
3	A	842	836	87.67
4	A	542	538	66.52
5	A	326	324	24.96
6	A	274	272	48.46
7	A	196	194	12.01
8	A	134	133	81.27
9	B	3364	3338	66.76
10	B	1140	1131	83.36
11	B	934	927	60.26
12	B	600	596	175.37
13	B	309	307	10.42
14	B	292	290	49.41
15	B	161	160	65.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.195
O2	0.000	1.444	0.944
O3	0.000	-1.444	0.944
O4	1.433	-0.063	-0.989
O5	-1.433	0.063	-0.989
H6	-1.643	-0.897	-1.200
H7	1.643	0.897	-1.200

	S1	O2	O3	O4	O5	H6	H7
S1		1.6269	1.6269	1.8597	1.8597	2.3340	2.3340
O2	1.6269		2.8880	2.8390	2.7743	3.5741	2.7557
O3	1.6269	2.8880		2.7743	2.8390	2.7557	3.5741
O4	1.8597	2.8390	2.7743		2.8695	3.1942	1.0048
O5	1.8597	2.7743	2.8390	2.8695		1.0048	3.1942
H6	2.3340	3.5741	2.7557	3.1942	1.0048		3.7433
H7	2.3340	2.7557	3.5741	1.0048	3.1942	3.7433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	105.196	S1	O5	H6	105.196
O2	S1	O3	125.145	O2	S1	O4	108.848
O2	S1	O5	105.253	O3	S1	O4	105.253
O3	S1	O5	108.848	O4	S1	O5	100.977

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

using model chemistry: BLYP/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	1.210
2	O	-0.452
3	O	-0.452
4	O	-0.536
5	O	-0.536
6	H	0.383
7	H	0.383

	x	y	z	Total
	0.000	0.000	-2.336	2.336
CHELPG
AIM
ESP

<r²>	129.407
(<r²>)^1/2	11.376

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

using model chemistry: BLYP/6-31G

States and conformations

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