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	hartrees
Energy at 0K	-337.623412
Energy at 298.15K	-337.632345
Nuclear repulsion energy	256.862583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3062	5.94
2	A	3195	3057	0.82
3	A	3157	3021	22.11
4	A	3154	3017	0.03
5	A	3071	2938	24.19
6	A	3066	2933	16.20
7	A	1577	1509	35.96
8	A	1567	1499	4.98
9	A	1547	1480	18.93
10	A	1533	1467	7.16
11	A	1500	1435	17.34
12	A	1477	1413	0.17
13	A	1417	1356	128.02
14	A	1308	1252	6.14
15	A	1264	1209	40.42
16	A	1204	1152	82.17
17	A	1153	1103	3.43
18	A	1145	1095	165.25
19	A	1062	1016	17.53
20	A	975	933	9.50
21	A	788	754	3.21
22	A	704	673	21.48
23	A	599	573	9.76
24	A	580	555	2.08
25	A	404	386	5.76
26	A	351	336	3.80
27	A	181	173	3.11
28	A	167	160	0.44
29	A	149	142	0.00
30	A	94	90	8.77

Atom	x (Å)	y (Å)	z (Å)
O1	-1.352	-1.147	0.026
O2	-1.352	1.147	0.026
H3	1.075	-1.660	1.062
H4	2.288	-1.183	-0.164
H5	0.786	-2.018	-0.650
C6	1.225	-1.298	0.039
H7	1.075	1.660	1.062
H8	0.786	2.018	-0.650
H9	2.288	1.183	-0.164
C10	1.225	1.298	0.039
N11	-0.789	-0.000	-0.029
N12	0.594	0.000	-0.168

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2942	2.6886	3.6452	2.4056	2.5807	3.8533	3.8791	4.3263	3.5520	1.2787	2.2668
O2	2.2942		3.8533	4.3263	3.8791	3.5520	2.6886	2.4055	3.6452	2.5807	1.2787	2.2668
H3	2.6886	3.8533		1.7896	1.7726	1.0951	3.3209	4.0679	3.3260	3.1340	2.7249	2.1219
H4	3.6452	4.3263	1.7896		1.7858	1.0892	3.3259	3.5696	2.3666	2.7076	3.3000	2.0668
H5	2.4056	3.8791	1.7726	1.7858		1.0888	4.0679	4.0367	3.5696	3.4156	2.6347	2.0839
C6	2.5807	3.5520	1.0951	1.0892	1.0888		3.1340	3.4156	2.7076	2.5964	2.3970	1.4581
H7	3.8533	2.6886	3.3209	3.3259	4.0679	3.1340		1.7726	1.7896	1.0951	2.7249	2.1219
H8	3.8791	2.4055	4.0679	3.5696	4.0367	3.4156	1.7726		1.7858	1.0888	2.6347	2.0839
H9	4.3263	3.6452	3.3260	2.3666	3.5696	2.7076	1.7896	1.7858		1.0892	3.3000	2.0668
C10	3.5520	2.5807	3.1340	2.7076	3.4156	2.5964	1.0951	1.0888	1.0892		2.3970	1.4581
N11	1.2787	1.2787	2.7249	3.3000	2.6347	2.3970	2.7249	2.6347	3.3000	2.3970		1.3901
N12	2.2668	2.2668	2.1219	2.0668	2.0839	1.4581	2.1219	2.0839	2.0668	1.4581	1.3901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	127.549	O1	N11	N12	116.226
O2	N11	N12	116.225	H3	C6	H4	110.025
H3	C6	H5	108.515	H3	C6	N12	111.625
H4	C6	H5	110.145	H4	C6	N12	107.574
H5	C6	N12	108.949	C6	N12	C10	125.828
C6	N12	N11	114.592	H7	C10	H8	108.515
H7	C10	H9	110.025	H7	C10	N12	111.625
H8	C10	H9	110.145	H8	C10	N12	108.949
H9	C10	N12	107.574	C10	N12	N11	114.591

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B1B95/3-21G

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	-0.314
2	O	-0.314
3	H	0.238
4	H	0.225
5	H	0.266
6	C	-0.414
7	H	0.238
8	H	0.266
9	H	0.225
10	C	-0.414
11	N	0.390
12	N	-0.391

	x	y	z	Total
	4.552	0.000	0.217	4.558
CHELPG
AIM
ESP

	x	y	z
x	7.053	0.000	-0.071
y	0.000	7.059	0.000
z	-0.071	0.000	3.658

<r²>	151.290
(<r²>)^1/2	12.300

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)