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	hartrees
Energy at 0K	-700.410388
Energy at 298.15K	-700.415385
Nuclear repulsion energy	286.750539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3635	44.75
2	A	1196	1156	162.48
3	A	1154	1116	75.92
4	A	794	767	107.82
5	A	525	508	38.67
6	A	421	407	13.77
7	A	359	347	1.39
8	A	230	222	105.06
9	B	3756	3631	200.25
10	B	1445	1397	271.30
11	B	1167	1128	84.59
12	B	851	823	331.36
13	B	534	516	24.43
14	B	480	464	41.22
15	B	307	296	57.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.160
O2	0.000	1.267	0.831
O3	0.000	-1.267	0.831
O4	1.248	-0.044	-0.854
O5	-1.248	0.044	-0.854
H6	-1.473	-0.865	-1.103
H7	1.473	0.865	-1.103

	S1	O2	O3	O4	O5	H6	H7
S1		1.4340	1.4340	1.6091	1.6091	2.1246	2.1246
O2	1.4340		2.5344	2.4733	2.4283	3.2340	2.4642
O3	1.4340	2.5344		2.4283	2.4733	2.4642	3.2340
O4	1.6091	2.4733	2.4283		2.4982	2.8537	0.9688
O5	1.6091	2.4283	2.4733	2.4982		0.9688	2.8537
H6	2.1246	3.2340	2.4642	2.8537	0.9688		3.4170
H7	2.1246	2.4642	3.2340	0.9688	2.8537	3.4170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	108.445	S1	O5	H6	108.445
O2	S1	O3	124.182	O2	S1	O4	108.600
O2	S1	O5	105.733	O3	S1	O4	105.733
O3	S1	O5	108.600	O4	S1	O5	101.847

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

using model chemistry: B3LYP/cc-pVTZ

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	ESP
1	S	1.009	0.988
2	O	-0.423	-0.423
3	O	-0.423	-0.423
4	O	-0.312	-0.496
5	O	-0.312	-0.495
6	H	0.230	0.423
7	H	0.230	0.425

	x	y	z	Total
	0.000	0.000	-3.071	3.071
CHELPG
AIM
ESP	0.004	0.004	-3.044	3.044

	x	y	z
x	4.523	0.271	0.000
y	0.271	5.051	0.000
z	0.000	0.000	4.482

<r²>	103.520
(<r²>)^1/2	10.174

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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