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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2	¹A
1	2	no	C2h	¹A_g

	hartrees
Energy at 0K	-151.155169
Energy at 298.15K	-151.157383
HF Energy	-150.759199
Nuclear repulsion energy	36.277341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3707	3565
2	A	1455	1399
3	A	884	850
4	A	324	311
5	B	3710	3567
6	B	1310	1260

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.739	-0.053
O2	0.000	-0.739	-0.053
H3	0.841	0.887	0.421
H4	-0.841	-0.887	0.421

	O1	O2	H3	H4
O1		1.4780	0.9767	1.8908
O2	1.4780		1.8908	0.9767
H3	0.9767	1.8908		2.4445
H4	1.8908	0.9767	2.4445

All results from a given calculation for H₂O₂ (Hydrogen peroxide)

using model chemistry: MP4=FULL/6-31G*

States and conformations

Conformer 1 (C2)

	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 H2O2 (Hydrogen peroxide)

using model chemistry: MP4=FULL/6-31G*

States and conformations

Conformer 1 (C2)

All results from a given calculation for H₂O₂ (Hydrogen peroxide)