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	hartrees
Energy at 0K	-697.849245
Energy at 298.15K	-697.854215
Nuclear repulsion energy	286.239888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3635	3576	53.55
2	A	1191	1172	162.11
3	A	1091	1073	89.71
4	A	785	772	127.05
5	A	504	496	63.94
6	A	431	424	39.39
7	A	354	348	10.38
8	A	258	254	89.91
9	B	3631	3571	151.67
10	B	1449	1425	268.87
11	B	1109	1091	91.77
12	B	849	835	370.76
13	B	514	505	22.81
14	B	461	453	67.73
15	B	322	317	81.36

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.167
O2	0.000	1.275	0.828
O3	0.000	-1.275	0.828
O4	1.247	-0.057	-0.849
O5	-1.247	0.057	-0.849
H6	-1.464	-0.842	-1.173
H7	1.464	0.842	-1.173

	S1	O2	O3	O4	O5	H6	H7
S1		1.4363	1.4363	1.6097	1.6097	2.1559	2.1559
O2	1.4363		2.5503	2.4783	2.4192	3.2604	2.5171
O3	1.4363	2.5503		2.4192	2.4783	2.5171	3.2604
O4	1.6097	2.4783	2.4192		2.4974	2.8412	0.9796
O5	1.6097	2.4192	2.4783	2.4974		0.9796	2.8412
H6	2.1559	3.2604	2.5171	2.8412	0.9796		3.3772
H7	2.1559	2.5171	3.2604	0.9796	2.8412	3.3772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	110.355	S1	O5	H6	110.355
O2	S1	O3	125.194	O2	S1	O4	108.768
O2	S1	O5	105.020	O3	S1	O4	105.020
O3	S1	O5	108.768	O4	S1	O5	101.741

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

using model chemistry: LSDA/6-311G*

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	1.073
2	O	-0.413
3	O	-0.413
4	O	-0.583
5	O	-0.583
6	H	0.460
7	H	0.460

	x	y	z	Total
	0.000	0.000	-3.339	3.339
CHELPG
AIM
ESP

	x	y	z
x	4.119	0.322	0.000
y	0.322	4.812	0.000
z	0.000	0.000	4.161

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G*

States and conformations

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