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	hartrees
Energy at 0K	-700.206240
Energy at 298.15K	-700.211090
HF Energy	-700.206240
Nuclear repulsion energy	283.450403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3668	3519	37.79
2	A	1178	1130	91.16
3	A	1163	1116	155.43
4	A	774	742	106.55
5	A	503	483	44.69
6	A	410	393	29.08
7	A	339	325	6.84
8	A	230	221	94.35
9	B	3664	3516	148.66
10	B	1439	1380	262.53
11	B	1176	1129	95.88
12	B	841	806	326.32
13	B	502	482	22.69
14	B	455	437	50.85
15	B	307	295	64.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.159
O2	0.000	1.270	0.829
O3	0.000	-1.270	0.829
O4	1.246	0.046	-0.851
O5	-1.246	-0.046	-0.851
H6	1.508	-0.860	-1.097
H7	-1.508	0.860	-1.097

	S1	O2	O3	O4	O5	H6	H7
S1		1.4355	1.4355	1.6048	1.6048	2.1432	2.1432
O2	1.4355		2.5400	2.4231	2.4707	3.2436	2.4801
O3	1.4355	2.5400		2.4707	2.4231	2.4801	3.2436
O4	1.6048	2.4231	2.4707		2.4942	0.9749	2.8826
O5	1.6048	2.4707	2.4231	2.4942		2.8826	0.9749
H6	2.1432	3.2436	2.4801	0.9749	2.8826		3.4721
H7	2.1432	2.4801	3.2436	2.8826	0.9749	3.4721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	47.153	S1	O5	H6	47.153
O2	S1	O3	124.425	O2	S1	O4	105.553
O2	S1	O5	108.583	O3	S1	O4	108.583
O3	S1	O5	105.553	O4	S1	O5	101.996

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

using model chemistry: TPSSh/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	1.280
2	O	-0.476
3	O	-0.476
4	O	-0.616
5	O	-0.616
6	H	0.452
7	H	0.452

	x	y	z	Total
	0.000	0.000	-3.029	3.029
CHELPG
AIM
ESP

	x	y	z
x	4.073	-0.295	0.000
y	-0.295	4.692	0.000
z	0.000	0.000	4.044

<r²>	105.248
(<r²>)^1/2	10.259

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

using model chemistry: TPSSh/6-31G*

States and conformations

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