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	hartrees
Energy at 0K	-700.048320
Energy at 298.15K	-700.053050
HF Energy	-700.048320
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3614	3543	35.54
2	A	1160	1137	6.97
3	A	1141	1119	216.54
4	A	728	714	109.46
5	A	487	478	34.26
6	A	399	391	27.25
7	A	333	326	8.48
8	A	222	218	86.65
9	B	3611	3540	123.17
10	B	1408	1380	237.93
11	B	1163	1140	92.11
12	B	794	779	308.54
13	B	486	476	14.12
14	B	446	437	44.14
15	B	293	287	63.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.172
O2	0.000	1.292	0.843
O3	0.000	-1.292	0.843
O4	1.277	0.057	-0.871
O5	-1.277	-0.057	-0.871
H6	1.451	-0.865	-1.153
H7	-1.451	0.865	-1.153

	S1	O2	O3	O4	O5	H6	H7
S1		1.4557	1.4557	1.6499	1.6499	2.1473	2.1473
O2	1.4557		2.5833	2.4687	2.5280	3.2779	2.5047
O3	1.4557	2.5833		2.5280	2.4687	2.5047	3.2779
O4	1.6499	2.4687	2.5280		2.5561	0.9804	2.8590
O5	1.6499	2.5280	2.4687	2.5561		2.8590	0.9804
H6	2.1473	3.2779	2.5047	0.9804	2.8590		3.3793
H7	2.1473	2.5047	3.2779	2.8590	0.9804	3.3793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	48.223	S1	O5	H6	48.223
O2	S1	O3	125.072	O2	S1	O4	105.120
O2	S1	O5	108.816	O3	S1	O4	108.816
O3	S1	O5	105.120	O4	S1	O5	101.538

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

using model chemistry: B97D3/6-31G*

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	1.199
2	O	-0.446
3	O	-0.446
4	O	-0.591
5	O	-0.591
6	H	0.438
7	H	0.438

	x	y	z	Total
	0.000	0.000	-2.938	2.938
CHELPG
AIM
ESP

	x	y	z
x	4.214	-0.287	0.000
y	-0.287	4.820	0.000
z	0.000	0.000	4.201

<r²>	106.453
(<r²>)^1/2	10.318

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

using model chemistry: B97D3/6-31G*

States and conformations

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