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	hartrees
Energy at 0K	-265.408734
Energy at 298.15K	-265.414263
HF Energy	-264.675783
Nuclear repulsion energy	131.578724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3942	3672	47.35
2	A	3906	3639	52.25
3	A	3228	3007	31.83
4	A	3128	2914	54.84
5	A	1605	1495	1.42
6	A	1484	1383	51.32
7	A	1421	1324	68.31
8	A	1412	1315	31.45
9	A	1271	1184	2.94
10	A	1193	1112	107.81
11	A	1115	1038	117.18
12	A	1076	1002	46.36
13	A	979	912	11.66
14	A	524	488	11.44
15	A	409	381	161.35
16	A	325	303	29.82
17	A	227	211	103.47
18	A	121	112	1.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.516	0.490	0.032
O2	-1.754	-0.125	-0.056
O3	0.471	-0.526	-0.136
O4	1.736	0.138	-0.034
H5	-1.861	-0.736	0.677
H6	2.136	-0.304	0.724
H7	-0.450	1.213	-0.778
H8	-0.349	0.988	0.992

	C1	O2	O3	O4	H5	H6	H7	H8
C1		1.3846	1.4265	2.2805	1.9309	2.8539	1.0876	1.0940
O2	1.3846		2.2617	3.4994	0.9609	3.9712	2.0028	2.0761
O3	1.4265	2.2617		1.4320	2.4783	1.8868	2.0693	2.0576
O4	2.2805	3.4994	1.4320		3.7690	0.9638	2.5466	2.4740
H5	1.9309	0.9609	2.4783	3.7690		4.0205	2.8122	2.3145
H6	2.8539	3.9712	1.8868	0.9638	4.0205		3.3528	2.8135
H7	1.0876	2.0028	2.0693	2.5466	2.8122	3.3528		1.7872
H8	1.0940	2.0761	2.0576	2.4740	2.3145	2.8135	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.490	C1	O3	O4	105.846
O2	C1	O3	107.127	O2	C1	H7	107.612
O2	C1	H8	113.249	O3	C1	H7	110.062
O3	C1	H8	108.725	O3	O4	H6	102.144
H7	C1	H8	110.008

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

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

States and conformations

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