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	hartrees
Energy at 0K	-339.678793
Energy at 298.15K	-339.687843
Nuclear repulsion energy	259.998574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3080	3.30
2	A	3172	3077	1.33
3	A	3123	3029	31.75
4	A	3118	3025	0.19
5	A	3016	2925	49.78
6	A	3010	2920	24.42
7	A	1652	1603	275.74
8	A	1489	1445	47.35
9	A	1476	1431	24.14
10	A	1470	1426	0.18
11	A	1446	1403	11.44
12	A	1446	1402	40.49
13	A	1410	1368	5.58
14	A	1343	1303	257.08
15	A	1319	1279	1.32
16	A	1264	1226	7.84
17	A	1135	1101	43.97
18	A	1108	1075	1.90
19	A	1045	1014	11.53
20	A	1002	972	73.50
21	A	863	837	12.38
22	A	784	761	18.39
23	A	624	606	1.16
24	A	616	597	9.67
25	A	418	405	3.54
26	A	361	351	2.21
27	A	205	199	8.23
28	A	139	135	0.30
29	A	129	125	2.82
30	A	113	109	0.07

Atom	x (Å)	y (Å)	z (Å)
O1	1.358	1.094	0.033
O2	1.358	-1.094	0.033
H3	-1.227	1.514	1.128
H4	-2.280	1.164	-0.286
H5	-0.752	2.071	-0.504
C6	-1.240	1.262	0.051
H7	-1.228	-1.514	1.128
H8	-0.752	-2.071	-0.503
H9	-2.280	-1.164	-0.286
C10	-1.240	-1.262	0.051
N11	0.806	-0.000	-0.030
N12	-0.567	-0.000	-0.230

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1872	2.8387	3.6529	2.3868	2.6033	3.8321	3.8412	4.2935	3.5068	1.2267	2.2299
O2	2.1872		3.8319	4.2935	3.8414	3.5069	2.8394	2.3867	3.6530	2.6035	1.2267	2.2300
H3	2.8387	3.8319		1.7976	1.7882	1.1061	3.0286	3.9676	3.2066	2.9779	2.7873	2.1388
H4	3.6529	4.2935	1.7976		1.7903	1.0981	3.2058	3.5840	2.3273	2.6607	3.3082	2.0715
H5	2.3868	3.8414	1.7882	1.7903		1.0954	3.9675	4.1418	3.5839	3.4137	2.6346	2.0970
C6	2.6033	3.5069	1.1061	1.0981	1.0954		2.9777	3.4138	2.6609	2.5239	2.4051	1.4575
H7	3.8321	2.8394	3.0286	3.2058	3.9675	2.9777		1.7882	1.7976	1.1061	2.7877	2.1388
H8	3.8412	2.3867	3.9676	3.5840	4.1418	3.4138	1.7882		1.7903	1.0954	2.6344	2.0970
H9	4.2935	3.6530	3.2066	2.3273	3.5839	2.6609	1.7976	1.7903		1.0981	3.3082	2.0715
C10	3.5068	2.6035	2.9779	2.6607	3.4137	2.5239	1.1061	1.0954	1.0981		2.4052	1.4575
N11	1.2267	1.2267	2.7873	3.3082	2.6346	2.4051	2.7877	2.6344	3.3082	2.4052		1.3878
N12	2.2299	2.2300	2.1388	2.0715	2.0970	1.4575	2.1388	2.0970	2.0715	1.4575	1.3878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.124	O1	N11	N12	116.922
O2	N11	N12	116.928	H3	C6	H4	109.282
H3	C6	H5	108.635	H3	C6	N12	112.369
H4	C6	H5	109.406	H4	C6	N12	107.473
H5	C6	N12	109.639	C6	N12	C10	119.959
C6	N12	N11	115.386	H7	C10	H8	108.636
H7	C10	H9	109.281	H7	C10	N12	112.370
H8	C10	H9	109.406	H8	C10	N12	109.638
H9	C10	N12	107.474	C10	N12	N11	115.391

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3LYP/cc-pVDZ

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	-0.274
2	O	-0.274
3	H	0.037
4	H	0.034
5	H	0.061
6	C	0.090
7	H	0.037
8	H	0.061
9	H	0.034
10	C	0.090
11	N	0.327
12	N	-0.222

	x	y	z	Total
	-4.288	0.000	0.112	4.289
CHELPG
AIM
ESP

	x	y	z
x	7.726	0.001	0.048
y	0.001	7.802	-0.003
z	0.048	-0.003	4.483

<r²>	149.405
(<r²>)^1/2	12.223

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)