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	hartrees
Energy at 0K	-266.091471
Energy at 298.15K	-266.096906
HF Energy	-266.091471
Nuclear repulsion energy	131.358831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3778	3646	26.67
2	A	3722	3592	23.03
3	A	3080	2972	46.86
4	A	2969	2865	76.91
5	A	1546	1492	2.64
6	A	1432	1382	60.69
7	A	1395	1346	8.72
8	A	1369	1321	59.08
9	A	1221	1178	2.40
10	A	1150	1110	73.21
11	A	1065	1028	120.31
12	A	1019	984	58.20
13	A	932	899	7.27
14	A	505	487	8.87
15	A	398	384	141.16
16	A	300	290	10.57
17	A	239	230	67.98
18	A	109	105	2.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.517	0.490	0.030
O2	-1.752	-0.126	-0.056
O3	0.470	-0.528	-0.135
O4	1.738	0.133	-0.039
H5	-1.841	-0.724	0.696
H6	2.100	-0.263	0.767
H7	-0.460	1.210	-0.794
H8	-0.339	1.007	0.987

	C1	O2	O3	O4	H5	H6	H7	H8
C1		1.3828	1.4275	2.2846	1.9155	2.8212	1.0956	1.1032
O2	1.3828		2.2598	3.5003	0.9642	3.9414	2.0005	2.0908
O3	1.4275	2.2598		1.4333	2.4636	1.8813	2.0779	2.0665
O4	2.2846	3.5003	1.4333		3.7530	0.9679	2.5611	2.4762
H5	1.9155	0.9642	2.4636	3.7530		3.9684	2.8049	2.3108
H6	2.8212	3.9414	1.8813	0.9679	3.9684		3.3399	2.7583
H7	1.0956	2.0005	2.0779	2.5611	2.8049	3.3399		1.7972
H8	1.1032	2.0908	2.0665	2.4762	2.3108	2.7583	1.7972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.074	C1	O3	O4	105.992
O2	C1	O3	107.040	O2	C1	H7	107.065
O2	C1	H8	114.026	O3	C1	H7	110.194
O3	C1	H8	108.816	O3	O4	H6	101.395
H7	C1	H8	109.642

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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