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	hartrees
Energy at 0K	-699.409537
Energy at 298.15K	-699.414823
HF Energy	-698.274434
Nuclear repulsion energy	291.770705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3853	3853	50.68
2	A	1279	1279	187.13
3	A	1191	1191	75.58
4	A	882	882	103.59
5	A	570	570	53.97
6	A	455	455	13.66
7	A	392	392	1.65
8	A	253	253	107.47
9	B	3848	3848	221.96
10	B	1533	1533	297.02
11	B	1209	1209	96.04
12	B	937	937	337.39
13	B	580	580	41.24
14	B	516	516	44.18
15	B	340	340	60.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.155
O2	0.000	1.247	0.818
O3	0.000	-1.247	0.818
O4	1.225	-0.040	-0.836
O5	-1.225	0.040	-0.836
H6	-1.441	-0.864	-1.092
H7	1.441	0.864	-1.092

	S1	O2	O3	O4	O5	H6	H7
S1		1.4125	1.4125	1.5759	1.5759	2.0919	2.0919
O2	1.4125		2.4941	2.4274	2.3861	3.1904	2.4229
O3	1.4125	2.4941		2.3861	2.4274	2.4229	3.1904
O4	1.5759	2.4274	2.3861		2.4509	2.8020	0.9637
O5	1.5759	2.3861	2.4274	2.4509		0.9637	2.8020
H6	2.0919	3.1904	2.4229	2.8020	0.9637		3.3604
H7	2.0919	2.4229	3.1904	0.9637	2.8020	3.3604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O4	H7	108.510	S1	O5	H6	108.510
O2	S1	O3	123.979	O2	S1	O4	108.519
O2	S1	O5	105.838	O3	S1	O4	105.838
O3	S1	O5	108.519	O4	S1	O5	102.089

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

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

States and conformations

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