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	hartrees
Energy at 0K	-73.806817
Energy at 298.15K	-73.812196
Nuclear repulsion energy	114.360241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4064	3672	60.45
2	A	1282	1158	348.04
3	A	1280	1156	19.65
4	A	923	834	102.20
5	A	588	532	93.64
6	A	467	422	20.92
7	A	399	360	1.80
8	A	275	248	128.76
9	B	4060	3668	287.63
10	B	1535	1387	418.81
11	B	1291	1167	142.22
12	B	982	887	378.42
13	B	599	541	68.71
14	B	528	477	57.64
15	B	349	315	83.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.200
O2	0.000	1.255	0.870
O3	0.000	-1.255	0.870
O4	1.228	-0.027	-0.795
O5	-1.228	0.027	-0.795
H6	-1.464	-0.862	-1.047
H7	1.464	0.862	-1.047

	S1	O2	O3	O4	O5	H6	H7
S1		1.4227	1.4227	1.5810	1.5810	2.1077	2.1077
O2	1.4227		2.5109	2.4341	2.4060	3.2095	2.4436
O3	1.4227	2.5109		2.4060	2.4341	2.4436	3.2095
O4	1.5810	2.4341	2.4060		2.4559	2.8292	0.9538
O5	1.5810	2.4060	2.4341	2.4559		0.9538	2.8292
H6	2.1077	3.2095	2.4436	2.8292	0.9538		3.3975
H7	2.1077	2.4436	3.2095	0.9538	2.8292	3.3975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	110.025	S1	O5	H6	110.025
O2	S1	O3	123.880	O2	S1	O4	108.144
O2	S1	O5	106.333	O3	S1	O4	106.333
O3	S1	O5	108.144	O4	S1	O5	101.912

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

using model chemistry: HF/CEP-121G*

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	1.169
2	O	-0.493
3	O	-0.493
4	O	-0.590
5	O	-0.590
6	H	0.499
7	H	0.499

	x	y	z	Total
	0.000	0.000	-3.503	3.503
CHELPG
AIM
ESP

	x	y	z
x	3.766	0.232	0.000
y	0.232	4.306	0.000
z	0.000	0.000	3.748

<r²>	83.327
(<r²>)^1/2	9.128

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

using model chemistry: HF/CEP-121G*

States and conformations

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