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	hartrees
Energy at 0K	-698.133263
Energy at 298.15K	-698.138766
Nuclear repulsion energy	293.928000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4113	3720	73.19
2	A	1320	1193	212.72
3	A	1274	1152	168.30
4	A	950	859	130.14
5	A	610	551	116.11
6	A	487	440	24.58
7	A	418	378	3.53
8	A	297	269	135.24
9	B	4108	3716	282.88
10	B	1577	1427	443.62
11	B	1290	1167	119.32
12	B	1004	908	441.15
13	B	620	561	72.67
14	B	549	496	64.61
15	B	353	320	106.84

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.154
O2	0.000	1.236	0.816
O3	0.000	-1.236	0.816
O4	1.212	-0.029	-0.830
O5	-1.212	0.029	-0.830
H6	-1.475	-0.831	-1.121
H7	1.475	0.831	-1.121

	S1	O2	O3	O4	O5	H6	H7
S1		1.4017	1.4017	1.5621	1.5621	2.1197	2.1197
O2	1.4017		2.4713	2.4043	2.3741	3.1938	2.4680
O3	1.4017	2.4713		2.3741	2.4043	2.4680	3.1938
O4	1.5621	2.4043	2.3741		2.4250	2.8194	0.9455
O5	1.5621	2.3741	2.4043	2.4250		0.9455	2.8194
H6	2.1197	3.1938	2.4680	2.8194	0.9455		3.3865
H7	2.1197	2.4680	3.1938	0.9455	2.8194	3.3865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	113.102	S1	O5	H6	113.102
O2	S1	O3	123.649	O2	S1	O4	108.310
O2	S1	O5	106.333	O3	S1	O4	106.333
O3	S1	O5	108.310	O4	S1	O5	101.830

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	CHELPG	ESP
1	S	1.638	1.690	1.576
2	O	-0.598	-0.645	-0.612
3	O	-0.598	-0.645	-0.611
4	O	-0.714	-0.718	-0.701
5	O	-0.714	-0.718	-0.699
6	H	0.493	0.519	0.523
7	H	0.493	0.519	0.524

	x	y	z	Total
	0.000	0.000	-3.699	3.699
CHELPG
AIM
ESP	-0.002	0.003	-3.677	3.677

	x	y	z
x	3.307	0.276	0.000
y	0.276	3.923	0.000
z	0.000	0.000	3.317

<r²>	100.126
(<r²>)^1/2	10.006

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)