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	hartrees
Energy at 0K	-694.265479
Energy at 298.15K	-694.269993
Nuclear repulsion energy	285.756814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3406	3344	4.62
2	A	1223	1201	200.51
3	A	1064	1045	89.70
4	A	827	812	78.35
5	A	509	500	13.48
6	A	407	400	69.53
7	A	357	350	0.39
8	A	111	109	64.92
9	B	3407	3346	154.91
10	B	1454	1428	209.01
11	B	1091	1072	2.38
12	B	889	873	394.99
13	B	499	490	28.81
14	B	456	448	60.78
15	B	163	160	217.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.148
O2	1.267	-0.037	0.850
O3	-1.267	0.037	0.850
O4	0.000	-1.196	-0.911
O5	0.000	1.196	-0.911
H6	-0.751	1.834	-0.699
H7	0.751	-1.834	-0.699

	S1	O2	O3	O4	O5	H6	H7
S1		1.4492	1.4492	1.5973	1.5973	2.1550	2.1550
O2	1.4492		2.5348	2.4598	2.4956	3.1580	2.4283
O3	1.4492	2.5348		2.4956	2.4598	2.4283	3.1580
O4	1.5973	2.4598	2.4956		2.3926	3.1289	1.0074
O5	1.5973	2.4956	2.4598	2.3926		1.0074	3.1289
H6	2.1550	3.1580	2.4283	3.1289	1.0074		3.9631
H7	2.1550	2.4283	3.1580	1.0074	3.1289	3.9631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	109.571	S1	O5	H6	109.571
O2	S1	O3	121.978	O2	S1	O4	107.590
O2	S1	O5	109.907	O3	S1	O4	109.907
O3	S1	O5	107.590	O4	S1	O5	97.001

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	S	1.031
2	O	-0.396
3	O	-0.396
4	O	-0.526
5	O	-0.526
6	H	0.406
7	H	0.406

	x	y	z	Total
	0.000	0.000	-1.397	1.397
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G*

States and conformations

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