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	hartrees
Energy at 0K	-697.742679
Energy at 298.15K	-697.747449
Nuclear repulsion energy	285.217139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3676	3607	32.59
2	A	1190	1168	176.35
3	A	1083	1063	72.38
4	A	796	781	98.09
5	A	502	493	37.46
6	A	400	392	17.28
7	A	327	320	0.33
8	A	200	196	125.89
9	B	3671	3603	207.29
10	B	1447	1420	236.04
11	B	1106	1086	94.15
12	B	871	855	338.39
13	B	502	493	24.95
14	B	451	443	60.32
15	B	287	282	53.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.159
O2	0.000	1.283	0.827
O3	0.000	-1.283	0.827
O4	1.253	-0.034	-0.857
O5	-1.253	0.034	-0.857
H6	-1.499	-0.900	-1.036
H7	1.499	0.900	-1.036

	S1	O2	O3	O4	O5	H6	H7
S1		1.4465	1.4465	1.6132	1.6132	2.1183	2.1183
O2	1.4465		2.5662	2.4774	2.4424	3.2383	2.4221
O3	1.4465	2.5662		2.4424	2.4774	2.4221	3.2383
O4	1.6132	2.4774	2.4424		2.5064	2.8907	0.9823
O5	1.6132	2.4424	2.4774	2.5064		0.9823	2.8907
H6	2.1183	3.2383	2.4221	2.8907	0.9823		3.4973
H7	2.1183	2.4221	3.2383	0.9823	2.8907	3.4973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	106.874	S1	O5	H6	106.874
O2	S1	O3	125.006	O2	S1	O4	108.008
O2	S1	O5	105.801	O3	S1	O4	105.801
O3	S1	O5	108.008	O4	S1	O5	101.945

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

using model chemistry: LSDA/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	1.056
2	O	-0.416
3	O	-0.416
4	O	-0.490
5	O	-0.490
6	H	0.379
7	H	0.379

	x	y	z	Total
	0.000	0.000	-2.824	2.824
CHELPG
AIM
ESP

	x	y	z
x	4.125	0.369	0.000
y	0.369	4.733	0.000
z	0.000	0.000	4.005

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G**

States and conformations

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