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	hartrees
Energy at 0K	-700.188988
Energy at 298.15K	-700.193990
Nuclear repulsion energy	286.187130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3802	3637	59.32
2	A	1200	1148	186.95
3	A	1131	1082	75.87
4	A	805	770	115.87
5	A	519	497	51.03
6	A	422	403	27.58
7	A	356	340	5.41
8	A	252	241	95.93
9	B	3798	3633	212.08
10	B	1448	1386	312.69
11	B	1146	1097	95.01
12	B	864	826	355.88
13	B	525	502	29.33
14	B	468	448	51.77
15	B	322	308	66.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.163
O2	0.000	1.274	0.832
O3	0.000	-1.274	0.832
O4	1.248	-0.050	-0.853
O5	-1.248	0.050	-0.853
H6	-1.455	-0.854	-1.139
H7	1.455	0.854	-1.139

	S1	O2	O3	O4	O5	H6	H7
S1		1.4384	1.4384	1.6105	1.6105	2.1316	2.1316
O2	1.4384		2.5475	2.4797	2.4277	3.2448	2.4859
O3	1.4384	2.5475		2.4277	2.4797	2.4859	3.2448
O4	1.6105	2.4797	2.4277		2.4988	2.8350	0.9702
O5	1.6105	2.4277	2.4797	2.4988		0.9702	2.8350
H6	2.1316	3.2448	2.4859	2.8350	0.9702		3.3741
H7	2.1316	2.4859	3.2448	0.9702	2.8350	3.3741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	108.826	S1	O5	H6	108.826
O2	S1	O3	124.628	O2	S1	O4	108.704
O2	S1	O5	105.407	O3	S1	O4	105.407
O3	S1	O5	108.704	O4	S1	O5	101.751

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

using model chemistry: B1B95/6-31+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	1.525
2	O	-0.562
3	O	-0.562
4	O	-0.598
5	O	-0.598
6	H	0.397
7	H	0.397

	x	y	z	Total
	0.000	0.000	-3.180	3.180
CHELPG
AIM
ESP

	x	y	z
x	4.753	0.180	0.000
y	0.180	5.391	0.000
z	0.000	0.000	4.803

<r²>	104.147
(<r²>)^1/2	10.205

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

using model chemistry: B1B95/6-31+G**

States and conformations

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