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	hartrees
Energy at 0K	-700.233223
Energy at 298.15K	-700.238132
Nuclear repulsion energy	283.808611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3622	56.61
2	A	1166	1124	151.28
3	A	1138	1098	100.65
4	A	766	739	118.23
5	A	506	488	43.99
6	A	412	397	26.43
7	A	348	336	5.57
8	A	246	237	96.25
9	B	3753	3619	197.35
10	B	1412	1361	303.25
11	B	1148	1107	88.47
12	B	824	795	349.12
13	B	511	493	22.76
14	B	461	445	47.80
15	B	311	300	68.90

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.167
O2	0.000	1.282	0.839
O3	0.000	-1.282	0.839
O4	1.261	-0.051	-0.862
O5	-1.261	0.051	-0.862
H6	-1.469	-0.856	-1.149
H7	1.469	0.856	-1.149

	S1	O2	O3	O4	O5	H6	H7
S1		1.4474	1.4474	1.6281	1.6281	2.1499	2.1499
O2	1.4474		2.5635	2.5021	2.4491	3.2681	2.5087
O3	1.4474	2.5635		2.4491	2.5021	2.5087	3.2681
O4	1.6281	2.5021	2.4491		2.5239	2.8605	0.9738
O5	1.6281	2.4491	2.5021	2.5239		0.9738	2.8605
H6	2.1499	3.2681	2.5087	2.8605	0.9738		3.4003
H7	2.1499	2.5087	3.2681	0.9738	2.8605	3.4003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	108.823	S1	O5	H6	108.823
O2	S1	O3	124.633	O2	S1	O4	108.746
O2	S1	O5	105.410	O3	S1	O4	105.410
O3	S1	O5	108.746	O4	S1	O5	101.626

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	S	1.599	1.063
2	O	-0.581	-0.436
3	O	-0.581	-0.435
4	O	-0.609	-0.548
5	O	-0.609	-0.547
6	H	0.390	0.451
7	H	0.390	0.452

	x	y	z	Total
	0.000	0.000	-3.145	3.145
CHELPG
AIM
ESP	0.004	0.004	-3.113	3.113

	x	y	z
x	4.941	0.183	0.000
y	0.183	5.545	0.000
z	0.000	0.000	4.980

<r²>	105.840
(<r²>)^1/2	10.288

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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