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	hartrees
Energy at 0K	-266.091080
Energy at 298.15K	-266.096535
HF Energy	-266.091080
Nuclear repulsion energy	131.583528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3808	3674	30.41
2	A	3752	3621	26.86
3	A	3073	2965	45.00
4	A	2968	2864	74.49
5	A	1539	1485	2.43
6	A	1437	1387	54.07
7	A	1398	1349	13.83
8	A	1388	1339	66.66
9	A	1229	1186	2.73
10	A	1160	1119	79.00
11	A	1074	1036	117.05
12	A	1030	994	53.98
13	A	955	922	11.64
14	A	514	496	7.25
15	A	397	383	135.29
16	A	311	300	20.27
17	A	228	220	70.77
18	A	112	108	2.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.517	0.490	0.019
O2	-1.754	-0.124	-0.049
O3	0.468	-0.534	-0.141
O4	1.746	0.128	-0.036
H5	-1.845	-0.705	0.715
H6	2.058	-0.212	0.814
H7	-0.457	1.204	-0.810
H8	-0.332	1.012	0.972

	C1	O2	O3	O4	H5	H6	H7	H8
C1		1.3834	1.4298	2.2924	1.9175	2.7849	1.0954	1.1023
O2	1.3834		2.2611	3.5095	0.9638	3.9096	2.0067	2.0875
O3	1.4298	2.2611		1.4440	2.4712	1.8829	2.0797	2.0658
O4	2.2924	3.5095	1.4440		3.7620	0.9678	2.5711	2.4727
H5	1.9175	0.9638	2.4712	3.7620		3.9347	2.8100	2.3029
H6	2.7849	3.9096	1.8829	0.9678	3.9347		3.3121	2.6893
H7	1.0954	2.0067	2.0797	2.5711	2.8100	3.3121		1.7971
H8	1.1023	2.0875	2.0658	2.4727	2.3029	2.6893	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.229	C1	O3	O4	105.817
O2	C1	O3	106.963	O2	C1	H7	107.529
O2	C1	H8	113.757	O3	C1	H7	110.180
O3	C1	H8	108.652	O3	O4	H6	100.795
H7	C1	H8	109.707

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

using model chemistry: B3LYP/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: B3LYP/6-31G(2df,p)

States and conformations

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