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	hartrees
Energy at 0K	-265.374900
Energy at 298.15K
HF Energy	-264.665452
Nuclear repulsion energy	131.721861

Atom	x (Å)	y (Å)	z (Å)
C1	-0.513	0.487	0.028
O2	-1.753	-0.123	-0.053
O3	0.471	-0.531	-0.138
O4	1.732	0.138	-0.034
H5	-1.844	-0.723	0.691
H6	2.105	-0.280	0.750
H7	-0.449	1.208	-0.786
H8	-0.336	0.996	0.982

	C1	O2	O3	O4	H5	H6	H7	H8
C1		1.3836	1.4247	2.2733	1.9163	2.8220	1.0890	1.0962
O2	1.3836		2.2619	3.4949	0.9603	3.9436	2.0015	2.0806
O3	1.4247	2.2619		1.4318	2.4653	1.8770	2.0708	2.0579
O4	2.2733	3.4949	1.4318		3.7488	0.9636	2.5434	2.4595
H5	1.9163	0.9603	2.4653	3.7488		3.9738	2.8022	2.3044
H6	2.8220	3.9436	1.8770	0.9636	3.9738		3.3309	2.7641
H7	1.0890	2.0015	2.0708	2.5434	2.8022	3.3309		1.7840
H8	1.0962	2.0806	2.0579	2.4595	2.3044	2.7641	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.338	C1	O3	O4	105.472
O2	C1	O3	107.301	O2	C1	H7	107.499
O2	C1	H8	113.576	O3	C1	H7	110.228
O3	C1	H8	108.744	O3	O4	H6	101.383
H7	C1	H8	109.456

All results from a given calculation for HOCH₂OOH (hydroxy methyl peroxide)

using model chemistry: MP3/6-31+G**

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 HOCH2OOH (hydroxy methyl peroxide)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for HOCH₂OOH (hydroxy methyl peroxide)