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	hartrees
Energy at 0K	-698.276678
Energy at 298.15K	-698.282247
HF Energy	-698.276678
Nuclear repulsion energy	296.676403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4096	3740	66.24
2	A	1366	1247	246.17
3	A	1252	1144	94.75
4	A	978	893	110.62
5	A	630	575	77.30
6	A	490	447	12.12
7	A	427	390	0.64
8	A	280	256	127.60
9	B	4091	3736	336.68
10	B	1613	1473	404.38
11	B	1275	1164	114.14
12	B	1027	937	393.14
13	B	640	585	63.74
14	B	565	516	46.24
15	B	356	325	73.54

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.146
O2	0.000	1.222	0.811
O3	0.000	-1.222	0.811
O4	1.202	-0.028	-0.823
O5	-1.202	0.028	-0.823
H6	-1.464	-0.848	-1.071
H7	1.464	0.848	-1.071

	S1	O2	O3	O4	O5	H6	H7
S1		1.3909	1.3909	1.5447	1.5447	2.0844	2.0844
O2	1.3909		2.4442	2.3826	2.3538	3.1573	2.4135
O3	1.3909	2.4442		2.3538	2.3826	2.4135	3.1573
O4	1.5447	2.3826	2.3538		2.4049	2.8006	0.9469
O5	1.5447	2.3538	2.3826	2.4049		0.9469	2.8006
H6	2.0844	3.1573	2.4135	2.8006	0.9469		3.3838
H7	2.0844	2.4135	3.1573	0.9469	2.8006	3.3838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	111.291	S1	O5	H6	111.291
O2	S1	O3	122.957	O2	S1	O4	108.394
O2	S1	O5	106.492	O3	S1	O4	106.492
O3	S1	O5	108.394	O4	S1	O5	102.241

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

using model chemistry: HF/cc-pCVTZ

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	1.260
2	O	-0.523
3	O	-0.523
4	O	-0.360
5	O	-0.360
6	H	0.253
7	H	0.253

	x	y	z	Total
	0.000	0.000	-3.518	3.518
CHELPG
AIM
ESP

	x	y	z
x	3.789	0.218	0.000
y	0.218	4.259	0.000
z	0.000	0.000	3.772

<r²>	97.986
(<r²>)^1/2	9.899

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

using model chemistry: HF/cc-pCVTZ

States and conformations

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