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	hartrees
Energy at 0K	-266.191707
Energy at 298.15K	-266.197127
HF Energy	-266.191707
Nuclear repulsion energy	131.184768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3802	3678	45.48
2	A	3757	3635	41.04
3	A	3088	2987	31.34
4	A	2996	2898	61.14
5	A	1535	1486	0.69
6	A	1427	1380	35.09
7	A	1383	1339	21.11
8	A	1365	1321	58.97
9	A	1229	1189	3.58
10	A	1143	1105	88.10
11	A	1062	1027	106.19
12	A	1005	973	77.45
13	A	941	910	15.63
14	A	504	488	6.96
15	A	388	376	133.10
16	A	311	301	18.35
17	A	214	207	81.47
18	A	112	108	2.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.526	0.490	0.034
O2	-1.760	-0.130	-0.059
O3	0.474	-0.517	-0.133
O4	1.749	0.132	-0.037
H5	-1.878	-0.739	0.676
H6	2.147	-0.295	0.731
H7	-0.461	1.215	-0.778
H8	-0.364	0.993	0.996

	C1	O2	O3	O4	H5	H6	H7	H8
C1		1.3842	1.4286	2.3037	1.9366	2.8714	1.0913	1.0975
O2	1.3842		2.2688	3.5189	0.9622	3.9896	2.0034	2.0794
O3	1.4286	2.2688		1.4335	2.4975	1.8955	2.0715	2.0630
O4	2.3037	3.5189	1.4335		3.7979	0.9651	2.5702	2.5045
H5	1.9366	0.9622	2.4975	3.7979		4.0499	2.8182	2.3229
H6	2.8714	3.9896	1.8955	0.9651	4.0499		3.3705	2.8343
H7	1.0913	2.0034	2.0715	2.5702	2.8182	3.3705		1.7908
H8	1.0975	2.0794	2.0630	2.5045	2.3229	2.8343	1.7908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.945	C1	O3	O4	107.205
O2	C1	O3	107.520	O2	C1	H7	107.464
O2	C1	H8	113.335	O3	C1	H7	109.862
O3	C1	H8	108.797	O3	O4	H6	102.662
H7	C1	H8	109.808

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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