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	hartrees
Energy at 0K	-699.820788
Energy at 298.15K	-699.825798
HF Energy	-699.820788
Nuclear repulsion energy	285.926623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3813	3641	59.34
2	A	1203	1148	186.09
3	A	1143	1092	77.30
4	A	806	769	116.02
5	A	521	498	50.82
6	A	423	403	26.10
7	A	357	341	5.14
8	A	251	240	98.93
9	B	3809	3637	215.88
10	B	1452	1386	316.85
11	B	1157	1105	95.85
12	B	864	825	353.60
13	B	527	504	29.44
14	B	472	450	50.75
15	B	320	305	68.22

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.163
O2	0.000	1.274	0.833
O3	0.000	-1.274	0.833
O4	1.250	-0.049	-0.854
O5	-1.250	0.049	-0.854
H6	-1.457	-0.855	-1.138
H7	1.457	0.855	-1.138

	S1	O2	O3	O4	O5	H6	H7
S1		1.4397	1.4397	1.6122	1.6122	2.1321	2.1321
O2	1.4397		2.5487	2.4820	2.4308	3.2467	2.4865
O3	1.4397	2.5487		2.4308	2.4820	2.4865	3.2467
O4	1.6122	2.4820	2.4308		2.5020	2.8383	0.9702
O5	1.6122	2.4308	2.4820	2.5020		0.9702	2.8383
H6	2.1321	3.2467	2.4865	2.8383	0.9702		3.3781
H7	2.1321	2.4865	3.2467	0.9702	2.8383	3.3781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	108.750	S1	O5	H6	108.750
O2	S1	O3	124.537	O2	S1	O4	108.698
O2	S1	O5	105.454	O3	S1	O4	105.454
O3	S1	O5	108.698	O4	S1	O5	101.783

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

using model chemistry: HSEh1PBE/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
1	S	1.568
2	O	-0.574
3	O	-0.574
4	O	-0.608
5	O	-0.608
6	H	0.399
7	H	0.399

	x	y	z	Total
	0.000	0.000	-3.202	3.202
CHELPG
AIM
ESP

	x	y	z
x	4.761	0.176	0.000
y	0.176	5.388	0.000
z	0.000	0.000	4.810

<r²>	104.367
(<r²>)^1/2	10.216

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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