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	hartrees
Energy at 0K	-699.564041
Energy at 298.15K	-699.569343
HF Energy	-698.275434
Nuclear repulsion energy	292.567673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3871	3871	50.17
2	A	1286	1286	191.04
3	A	1183	1183	74.56
4	A	887	887	104.05
5	A	574	574	53.78
6	A	459	459	13.05
7	A	395	395	1.40
8	A	250	250	110.14
9	B	3867	3867	225.95
10	B	1540	1540	299.35
11	B	1205	1205	96.53
12	B	941	941	341.16
13	B	584	584	42.97
14	B	520	520	45.47
15	B	345	345	58.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.154
O2	0.000	1.244	0.816
O3	0.000	-1.244	0.816
O4	1.221	-0.038	-0.834
O5	-1.221	0.038	-0.834
H6	-1.440	-0.864	-1.085
H7	1.440	0.864	-1.085

	S1	O2	O3	O4	O5	H6	H7
S1		1.4086	1.4086	1.5714	1.5714	2.0875	2.0875
O2	1.4086		2.4873	2.4202	2.3804	3.1829	2.4151
O3	1.4086	2.4873		2.3804	2.4202	2.4151	3.1829
O4	1.5714	2.4202	2.3804		2.4426	2.7973	0.9621
O5	1.5714	2.3804	2.4202	2.4426		0.9621	2.7973
H6	2.0875	3.1829	2.4151	2.7973	0.9621		3.3591
H7	2.0875	2.4151	3.1829	0.9621	2.7973	3.3591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	108.566	S1	O5	H6	108.566
O2	S1	O3	123.987	O2	S1	O4	108.485
O2	S1	O5	105.898	O3	S1	O4	105.898
O3	S1	O5	108.485	O4	S1	O5	102.007

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

using model chemistry: CCSD=FULL/cc-pV(T+d)Z

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

using model chemistry: CCSD=FULL/cc-pV(T+d)Z

States and conformations

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