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	hartrees
Energy at 0K	-700.216021
Energy at 298.15K	-700.221138
HF Energy	-700.216021
Nuclear repulsion energy	288.037270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3856	3688	59.36
2	A	1235	1182	194.60
3	A	1140	1091	79.71
4	A	823	787	128.87
5	A	536	513	64.27
6	A	433	414	24.42
7	A	373	357	6.63
8	A	266	255	103.02
9	B	3852	3684	223.90
10	B	1493	1428	308.88
11	B	1158	1108	96.23
12	B	878	839	365.83
13	B	547	523	31.83
14	B	490	469	55.07
15	B	313	299	80.80

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.157
O2	0.000	1.257	0.823
O3	0.000	-1.257	0.823
O4	1.234	0.038	-0.844
O5	-1.234	-0.038	-0.844
H6	1.492	-0.855	-1.094
H7	-1.492	0.855	-1.094

	S1	O2	O3	O4	O5	H6	H7
S1		1.4222	1.4222	1.5894	1.5894	2.1270	2.1270
O2	1.4222		2.5132	2.4056	2.4453	3.2191	2.4625
O3	1.4222	2.5132		2.4453	2.4056	2.4625	3.2191
O4	1.5894	2.4056	2.4453		2.4684	0.9632	2.8567
O5	1.5894	2.4453	2.4056	2.4684		2.8567	0.9632
H6	2.1270	3.2191	2.4625	0.9632	2.8567		3.4401
H7	2.1270	2.4625	3.2191	2.8567	0.9632	3.4401

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	47.261	S1	O5	H6	47.261
O2	S1	O3	124.149	O2	S1	O4	105.889
O2	S1	O5	108.447	O3	S1	O4	108.447
O3	S1	O5	105.889	O4	S1	O5	101.883

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

using model chemistry: wB97X-D/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	1.213
2	O	-0.473
3	O	-0.473
4	O	-0.453
5	O	-0.453
6	H	0.319
7	H	0.319

	x	y	z	Total
	0.000	0.000	-3.317	3.317
CHELPG
AIM
ESP

	x	y	z
x	3.880	-0.276	0.000
y	-0.276	4.582	0.000
z	0.000	0.000	3.919

<r²>	103.072
(<r²>)^1/2	10.152

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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