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	hartrees
Energy at 0K	-73.796162
Energy at 298.15K	-73.801506
Nuclear repulsion energy	114.303322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4082	3666	57.06
2	A	1284	1153	362.43
3	A	1274	1144	18.10
4	A	924	830	107.74
5	A	590	530	98.08
6	A	464	417	17.72
7	A	402	361	1.31
8	A	269	241	137.57
9	B	4079	3663	322.02
10	B	1527	1372	405.55
11	B	1287	1156	142.85
12	B	982	882	388.55
13	B	600	539	72.75
14	B	529	475	55.10
15	B	339	304	89.52

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
O2	0.000	1.255	0.871
O3	0.000	-1.255	0.871
O4	1.226	-0.026	-0.798
O5	-1.226	0.026	-0.798
H6	-1.467	-0.868	-1.041
H7	1.467	0.868	-1.041

	S1	O2	O3	O4	O5	H6	H7
S1		1.4232	1.4232	1.5815	1.5815	2.1087	2.1087
O2	1.4232		2.5104	2.4357	2.4083	3.2118	2.4412
O3	1.4232	2.5104		2.4083	2.4357	2.4412	3.2118
O4	1.5815	2.4357	2.4083		2.4523	2.8320	0.9573
O5	1.5815	2.4083	2.4357	2.4523		0.9573	2.8320
H6	2.1087	3.2118	2.4412	2.8320	0.9573		3.4094
H7	2.1087	2.4412	3.2118	0.9573	2.8320	3.4094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	109.871	S1	O5	H6	109.871
O2	S1	O3	123.760	O2	S1	O4	108.205
O2	S1	O5	106.435	O3	S1	O4	106.435
O3	S1	O5	108.205	O4	S1	O5	101.668

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

using model chemistry: HF/CEP-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	0.908
2	O	-0.425
3	O	-0.425
4	O	-0.517
5	O	-0.517
6	H	0.488
7	H	0.488

	x	y	z	Total
	0.000	0.000	-3.572	3.572
CHELPG
AIM
ESP

	x	y	z
x	3.588	0.235	0.000
y	0.235	4.192	0.000
z	0.000	0.000	3.544

<r²>	83.459
(<r²>)^1/2	9.136

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

using model chemistry: HF/CEP-31G*

States and conformations

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