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	hartrees
Energy at 0K	-74.800967
Energy at 298.15K	-74.804593
Nuclear repulsion energy	101.371684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3476	74.91
2	A	1091	1045	32.70
3	A	841	805	124.93
4	A	607	582	81.33
5	A	334	320	72.00
6	A	298	285	49.49
7	A	238	228	7.04
8	A	181	173	72.75
9	B	3627	3473	154.29
10	B	1156	1106	78.54
11	B	929	890	61.44
12	B	657	629	218.87
13	B	331	316	14.29
14	B	307	294	54.75
15	B	183	176	108.57

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.197
O2	0.000	1.436	0.936
O3	0.000	-1.436	0.936
O4	1.371	-0.063	-0.975
O5	-1.371	0.063	-0.975
H6	-1.585	-0.865	-1.256
H7	1.585	0.865	-1.256

	S1	O2	O3	O4	O5	H6	H7
S1		1.6144	1.6144	1.8048	1.8048	2.3179	2.3179
O2	1.6144		2.8710	2.7888	2.7227	3.5509	2.7644
O3	1.6144	2.8710		2.7227	2.7888	2.7644	3.5509
O4	1.8048	2.7888	2.7227		2.7448	3.0759	0.9934
O5	1.8048	2.7227	2.7888	2.7448		0.9934	3.0759
H6	2.3179	3.5509	2.7644	3.0759	0.9934		3.6121
H7	2.3179	2.7644	3.5509	0.9934	3.0759	3.6121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	108.344	S1	O5	H6	108.344
O2	S1	O3	125.537	O2	S1	O4	109.174
O2	S1	O5	105.420	O3	S1	O4	105.420
O3	S1	O5	109.174	O4	S1	O5	99.004

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

using model chemistry: B1B95/CEP-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	0.845
2	O	-0.354
3	O	-0.354
4	O	-0.466
5	O	-0.466
6	H	0.398
7	H	0.398

	x	y	z	Total
	0.000	0.000	-2.942	2.942
CHELPG
AIM
ESP

	x	y	z
x	5.524	0.250	0.000
y	0.250	6.466	0.000
z	0.000	0.000	5.643

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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