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	hartrees
Energy at 0K	-339.317775
Energy at 298.15K	-339.326552
Nuclear repulsion energy	258.893613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3114	3082	1.29
2	A	3113	3081	0.87
3	A	3051	3019	28.55
4	A	3048	3016	0.19
5	A	2950	2920	50.37
6	A	2945	2915	24.03
7	A	1609	1593	232.72
8	A	1465	1450	33.12
9	A	1447	1432	10.27
10	A	1445	1430	0.11
11	A	1423	1408	12.98
12	A	1411	1396	53.55
13	A	1371	1357	11.84
14	A	1294	1280	209.13
15	A	1286	1273	0.98
16	A	1233	1220	4.91
17	A	1113	1101	41.31
18	A	1084	1073	2.33
19	A	1019	1009	6.71
20	A	958	948	77.44
21	A	838	830	14.81
22	A	753	745	11.46
23	A	599	593	0.79
24	A	596	590	7.29
25	A	401	396	3.50
26	A	353	349	2.04
27	A	187	185	8.73
28	A	133	131	0.12
29	A	104	103	1.16
30	A	70	70	0.07

Atom	x (Å)	y (Å)	z (Å)
O1	1.367	1.102	0.032
O2	1.367	-1.103	0.032
H3	-1.320	1.472	1.134
H4	-2.265	1.189	-0.369
H5	-0.706	2.075	-0.437
C6	-1.250	1.257	0.050
H7	-1.320	-1.472	1.134
H8	-0.706	-2.075	-0.437
H9	-2.265	-1.189	-0.369
C10	-1.250	-1.257	0.050
N11	0.816	-0.000	-0.027
N12	-0.573	-0.000	-0.226

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2050	2.9279	3.6549	2.3375	2.6215	3.8815	3.8233	4.3130	3.5238	1.2340	2.2467
O2	2.2050		3.8815	4.3131	3.8231	3.5238	2.9282	2.3380	3.6552	2.6218	1.2340	2.2469
H3	2.9279	3.8815		1.7971	1.7911	1.1073	2.9445	3.9280	3.1986	2.9376	2.8421	2.1386
H4	3.6549	4.3131	1.7971		1.7943	1.1000	3.1986	3.6178	2.3777	2.6812	3.3198	2.0723
H5	2.3375	3.8231	1.7911	1.7943		1.0963	3.9280	4.1505	3.6178	3.4114	2.6061	2.0902
C6	2.6215	3.5238	1.1073	1.1000	1.0963		2.9376	3.4114	2.6811	2.5144	2.4194	1.4539
H7	3.8815	2.9282	2.9445	3.1986	3.9280	2.9376		1.7911	1.7971	1.1073	2.8422	2.1386
H8	3.8233	2.3380	3.9280	3.6178	4.1505	3.4114	1.7911		1.7943	1.0963	2.6063	2.0902
H9	4.3130	3.6552	3.1986	2.3777	3.6178	2.6811	1.7971	1.7943		1.1000	3.3199	2.0723
C10	3.5238	2.6218	2.9376	2.6812	3.4114	2.5144	1.1073	1.0963	1.1000		2.4195	1.4539
N11	1.2340	1.2340	2.8421	3.3198	2.6061	2.4194	2.8422	2.6063	3.3199	2.4195		1.4037
N12	2.2467	2.2469	2.1386	2.0723	2.0902	1.4539	2.1386	2.0902	2.0723	1.4539	1.4037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.616	O1	N11	N12	116.668
O2	N11	N12	116.677	H3	C6	H4	109.010
H3	C6	H5	108.745	H3	C6	N12	112.532
H4	C6	H5	109.568	H4	C6	N12	107.659
H5	C6	N12	109.292	C6	N12	C10	119.692
C6	N12	N11	115.689	H7	C10	H8	108.746
H7	C10	H9	109.010	H7	C10	N12	112.532
H8	C10	H9	109.568	H8	C10	N12	109.292
H9	C10	N12	107.659	C10	N12	N11	115.695

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	O	-0.379
2	O	-0.379
3	H	0.144
4	H	0.147
5	H	0.180
6	C	-0.355
7	H	0.144
8	H	0.180
9	H	0.147
10	C	-0.355
11	N	0.562
12	N	-0.037

	x	y	z	Total
	-4.052	0.000	0.112	4.054
CHELPG
AIM
ESP

	x	y	z
x	8.495	-0.000	0.012
y	-0.000	7.990	0.000
z	0.012	0.000	4.945

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

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

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)