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	hartrees
Energy at 0K	-691.303122
Energy at 298.15K	-691.305923
Nuclear repulsion energy	247.802453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3415	3160	0.23
2	A	1136	1051	16.19
3	A	883	817	36.12
4	A	567	524	26.76
5	A	271	251	31.45
6	A	237	219	1.84
7	A	162	150	2.20
8	A	132	122	16.79
9	B	3418	3162	77.67
10	B	1196	1106	24.46
11	B	981	908	24.17
12	B	607	562	94.21
13	B	261	241	28.43
14	B	254	235	10.05
15	B	212	197	7.77

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.220
O2	0.000	1.473	0.929
O3	0.000	-1.473	0.929
O4	1.465	0.006	-1.021
O5	-1.465	-0.006	-1.021
H6	-1.614	-1.053	-1.033
H7	1.614	1.053	-1.033

	S1	O2	O3	O4	O5	H6	H7
S1		1.6346	1.6346	1.9198	1.9198	2.2991	2.2991
O2	1.6346		2.9455	2.8463	2.8520	3.5829	2.5757
O3	1.6346	2.9455		2.8520	2.8463	2.5757	3.5829
O4	1.9198	2.8463	2.8520		2.9295	3.2558	1.0580
O5	1.9198	2.8520	2.8463	2.9295		1.0580	3.2558
H6	2.2991	3.5829	2.5757	3.2558	1.0580		3.8544
H7	2.2991	2.5757	3.5829	1.0580	3.2558	3.8544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	96.796	S1	O5	H6	96.796
O2	S1	O3	128.577	O2	S1	O4	106.130
O2	S1	O5	106.444	O3	S1	O4	106.444
O3	S1	O5	106.130	O4	S1	O5	99.454

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

using model chemistry: BLYP/STO-3G

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	0.735
2	O	-0.270
3	O	-0.270
4	O	-0.231
5	O	-0.231
6	H	0.133
7	H	0.133

	x	y	z	Total
	0.000	0.000	-0.532	0.532
CHELPG
AIM
ESP

	x	y	z
x	3.963	0.837	0.000
y	0.837	4.519	0.000
z	0.000	0.000	3.355

<r²>	129.642
(<r²>)^1/2	11.386

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

using model chemistry: BLYP/STO-3G

States and conformations

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