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	hartrees
Energy at 0K	-700.274780
Energy at 298.15K	-700.279530
Nuclear repulsion energy	279.691748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3568	36.85
2	A	1139	1136	5.93
3	A	1097	1094	211.49
4	A	682	680	125.38
5	A	470	469	38.89
6	A	412	411	48.07
7	A	336	335	12.74
8	A	251	250	63.37
9	B	3574	3565	87.01
10	B	1359	1356	238.64
11	B	1133	1130	83.42
12	B	745	743	321.26
13	B	475	474	6.63
14	B	438	437	54.18
15	B	310	310	76.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.178
O2	0.000	1.295	0.849
O3	0.000	-1.295	0.849
O4	1.287	-0.067	-0.876
O5	-1.287	0.067	-0.876
H6	-1.468	-0.837	-1.212
H7	1.468	0.837	-1.212

	S1	O2	O3	O4	O5	H6	H7
S1		1.4591	1.4591	1.6645	1.6645	2.1881	2.1881
O2	1.4591		2.5907	2.5473	2.4781	3.3093	2.5722
O3	1.4591	2.5907		2.4781	2.5473	2.5722	3.3093
O4	1.6645	2.5473	2.4781		2.5766	2.8798	0.9813
O5	1.6645	2.4781	2.5473	2.5766		0.9813	2.8798
H6	2.1881	3.3093	2.5722	2.8798	0.9813		3.3795
H7	2.1881	2.5722	3.3093	0.9813	2.8798	3.3795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	108.834	S1	O5	H6	108.834
O2	S1	O3	125.194	O2	S1	O4	109.101
O2	S1	O5	104.809	O3	S1	O4	104.809
O3	S1	O5	109.101	O4	S1	O5	101.431

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

using model chemistry: BLYP/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	1.118
2	O	-0.418
3	O	-0.418
4	O	-0.568
5	O	-0.568
6	H	0.426
7	H	0.426

	x	y	z	Total
	0.000	0.000	-3.125	3.125
CHELPG
AIM
ESP

<r²>	108.377
(<r²>)^1/2	10.410

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

using model chemistry: BLYP/6-311G*

States and conformations

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