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	hartrees
Energy at 0K	-698.147223
Energy at 298.15K	-698.152703
Nuclear repulsion energy	293.959639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4105	3729	73.75
2	A	1317	1197	262.66
3	A	1234	1121	103.24
4	A	947	861	120.96
5	A	608	553	103.41
6	A	476	433	18.30
7	A	418	380	2.33
8	A	293	266	131.48
9	B	4100	3725	346.29
10	B	1571	1427	420.42
11	B	1253	1138	115.52
12	B	1002	910	415.72
13	B	620	563	69.65
14	B	548	498	59.71
15	B	339	308	93.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.153
O2	0.000	1.235	0.817
O3	0.000	-1.235	0.817
O4	1.213	-0.028	-0.832
O5	-1.213	0.028	-0.832
H6	-1.461	-0.846	-1.102
H7	1.461	0.846	-1.102

	S1	O2	O3	O4	O5	H6	H7
S1		1.4021	1.4021	1.5623	1.5623	2.1034	2.1034
O2	1.4021		2.4698	2.4048	2.3759	3.1850	2.4429
O3	1.4021	2.4698		2.3759	2.4048	2.4429	3.1850
O4	1.5623	2.4048	2.3759		2.4263	2.8091	0.9474
O5	1.5623	2.3759	2.4048	2.4263		0.9474	2.8091
H6	2.1034	3.1850	2.4429	2.8091	0.9474		3.3761
H7	2.1034	2.4429	3.1850	0.9474	2.8091	3.3761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	111.513	S1	O5	H6	111.513
O2	S1	O3	123.472	O2	S1	O4	108.309
O2	S1	O5	106.418	O3	S1	O4	106.418
O3	S1	O5	108.309	O4	S1	O5	101.881

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

using model chemistry: HF/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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Number	Element	Mulliken
1	S	1.587
2	O	-0.597
3	O	-0.597
4	O	-0.526
5	O	-0.526
6	H	0.330
7	H	0.330

	x	y	z	Total
	0.000	0.000	-3.637	3.637
CHELPG
AIM
ESP

	x	y	z
x	3.363	0.266	0.000
y	0.266	3.984	0.000
z	0.000	0.000	3.378

<r²>	100.054
(<r²>)^1/2	10.003

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

using model chemistry: HF/6-311G**

States and conformations

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