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	hartrees
Energy at 0K	-694.841231
Energy at 298.15K	-694.845406
HF Energy	-694.249535
Nuclear repulsion energy	265.781607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3433	3328	5.42
2	A	1203	1166	106.48
3	A	978	948	61.19
4	A	687	666	29.96
5	A	422	409	25.58
6	A	362	351	63.28
7	A	271	263	0.34
8	A	164	159	23.51
9	B	3435	3329	114.63
10	B	1253	1214	41.98
11	B	1078	1045	51.48
12	B	800	775	203.13
13	B	400	388	59.78
14	B	372	361	69.08
15	B	198	192	231.31

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.157
O2	-1.373	-0.082	0.931
O3	1.373	0.082	0.931
O4	0.000	1.262	-1.001
O5	0.000	-1.262	-1.001
H6	0.672	1.940	-0.695
H7	-0.672	-1.940	-0.695

	S1	O2	O3	O4	O5	H6	H7
S1		1.5781	1.5781	1.7123	1.7123	2.2224	2.2224
O2	1.5781		2.7508	2.7242	2.6469	3.3034	2.5655
O3	1.5781	2.7508		2.6469	2.7242	2.5655	3.3034
O4	1.7123	2.7242	2.6469		2.5233	1.0027	3.2853
O5	1.7123	2.6469	2.7242	2.5233		3.2853	1.0027
H6	2.2224	3.3034	2.5655	1.0027	3.2853		4.1056
H7	2.2224	2.5655	3.3034	3.2853	1.0027	4.1056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	38.652	S1	O5	H6	38.652
O2	S1	O3	121.281	O2	S1	O4	111.707
O2	S1	O5	107.043	O3	S1	O4	107.043
O3	S1	O5	111.707	O4	S1	O5	94.924

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

using model chemistry: QCISD/3-21G

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

using model chemistry: QCISD/3-21G

States and conformations

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