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	hartrees
Energy at 0K	-700.125989
Energy at 298.15K	-700.131037
HF Energy	-700.125989
Nuclear repulsion energy	286.634583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3851	3667	62.89
2	A	1227	1169	191.74
3	A	1155	1100	79.61
4	A	818	779	123.28
5	A	530	504	55.13
6	A	425	405	23.41
7	A	364	346	4.89
8	A	252	240	103.70
9	B	3847	3663	226.48
10	B	1477	1407	331.68
11	B	1170	1114	100.69
12	B	873	832	361.64
13	B	536	510	32.37
14	B	480	458	49.92
15	B	316	301	72.45

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.157
O2	0.000	1.262	0.827
O3	0.000	-1.262	0.827
O4	1.237	0.040	-0.847
O5	-1.237	-0.040	-0.847
H6	1.500	-0.856	-1.097
H7	-1.500	0.856	-1.097

	S1	O2	O3	O4	O5	H6	H7
S1		1.4288	1.4288	1.5933	1.5933	2.1345	2.1345
O2	1.4288		2.5233	2.4132	2.4549	3.2310	2.4738
O3	1.4288	2.5233		2.4549	2.4132	2.4738	3.2310
O4	1.5933	2.4132	2.4549		2.4755	0.9671	2.8673
O5	1.5933	2.4549	2.4132	2.4755		2.8673	0.9671
H6	2.1345	3.2310	2.4738	0.9671	2.8673		3.4544
H7	2.1345	2.4738	3.2310	2.8673	0.9671	3.4544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	47.236	S1	O5	H6	47.236
O2	S1	O3	124.025	O2	S1	O4	105.853
O2	S1	O5	108.530	O3	S1	O4	108.530
O3	S1	O5	105.853	O4	S1	O5	101.950

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

using model chemistry: wB97X-D/6-31+G**

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	1.599
2	O	-0.583
3	O	-0.583
4	O	-0.621
5	O	-0.621
6	H	0.405
7	H	0.405

	x	y	z	Total
	0.000	0.000	-3.267	3.267
CHELPG
AIM
ESP

	x	y	z
x	4.662	-0.169	0.000
y	-0.169	5.310	0.000
z	0.000	0.000	4.729

<r²>	103.943
(<r²>)^1/2	10.195

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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