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	hartrees
Energy at 0K	-697.862941
Energy at 298.15K	-697.867855
Nuclear repulsion energy	286.336180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3676	3631	53.20
2	A	1188	1174	178.01
3	A	1052	1039	66.62
4	A	784	775	116.40
5	A	503	497	51.11
6	A	415	410	26.89
7	A	348	343	6.99
8	A	248	245	101.32
9	B	3671	3626	215.56
10	B	1444	1426	254.31
11	B	1073	1060	86.93
12	B	849	839	351.68
13	B	514	508	23.85
14	B	457	452	64.09
15	B	302	299	65.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.164
O2	0.000	1.275	0.826
O3	0.000	-1.275	0.826
O4	1.249	-0.047	-0.850
O5	-1.249	0.047	-0.850
H6	-1.456	-0.870	-1.122
H7	1.456	0.870	-1.122

	S1	O2	O3	O4	O5	H6	H7
S1		1.4369	1.4369	1.6102	1.6102	2.1285	2.1285
O2	1.4369		2.5503	2.4743	2.4249	3.2430	2.4658
O3	1.4369	2.5503		2.4249	2.4743	2.4658	3.2430
O4	1.6102	2.4743	2.4249		2.5005	2.8404	0.9788
O5	1.6102	2.4249	2.4743	2.5005		0.9788	2.8404
H6	2.1285	3.2430	2.4658	2.8404	0.9788		3.3918
H7	2.1285	2.4658	3.2430	0.9788	2.8404	3.3918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	108.111	S1	O5	H6	108.111
O2	S1	O3	125.108	O2	S1	O4	108.457
O2	S1	O5	105.324	O3	S1	O4	105.324
O3	S1	O5	108.457	O4	S1	O5	101.880

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

using model chemistry: LSDA/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	1.025
2	O	-0.415
3	O	-0.415
4	O	-0.420
5	O	-0.420
6	H	0.322
7	H	0.322

	x	y	z	Total
	0.000	0.000	-3.151	3.151
CHELPG
AIM
ESP

	x	y	z
x	4.179	0.327	0.000
y	0.327	4.874	0.000
z	0.000	0.000	4.182

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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