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	hartrees
Energy at 0K	-337.756732
Energy at 298.15K	-337.765457
Nuclear repulsion energy	254.806977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3078	2.20
2	A	3187	3075	0.58
3	A	3137	3027	27.47
4	A	3132	3022	0.20
5	A	3043	2936	41.22
6	A	3038	2932	15.21
7	A	1580	1525	29.85
8	A	1568	1513	2.77
9	A	1555	1500	16.89
10	A	1541	1487	12.95
11	A	1495	1443	11.06
12	A	1475	1423	1.73
13	A	1383	1335	123.04
14	A	1264	1220	6.38
15	A	1264	1219	9.71
16	A	1195	1153	21.43
17	A	1145	1105	6.00
18	A	1111	1072	251.94
19	A	1052	1015	10.37
20	A	944	910	30.66
21	A	771	743	6.05
22	A	687	663	19.03
23	A	579	558	10.21
24	A	566	547	1.08
25	A	401	387	5.98
26	A	355	342	3.78
27	A	166	160	10.75
28	A	144	139	0.13
29	A	94	91	3.41
30	A	92	89	0.20

Atom	x (Å)	y (Å)	z (Å)
O1	1.374	1.150	0.033
O2	1.374	-1.150	0.033
H3	-1.221	1.541	1.120
H4	-2.283	1.214	-0.284
H5	-0.727	2.065	-0.507
C6	-1.247	1.290	0.052
H7	-1.225	-1.539	1.121
H8	-0.725	-2.066	-0.503
H9	-2.282	-1.215	-0.288
C10	-1.248	-1.290	0.052
N11	0.805	-0.000	-0.034
N12	-0.598	-0.000	-0.225

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2997	2.8404	3.6707	2.3543	2.6248	3.8948	3.8770	4.3659	3.5810	1.2848	2.2974
O2	2.2997		3.8937	4.3660	3.8786	3.5810	2.8450	2.3519	3.6707	2.6258	1.2848	2.2977
H3	2.8404	3.8937		1.7903	1.7789	1.0977	3.0804	3.9864	3.2721	3.0257	2.7949	2.1386
H4	3.6707	4.3660	1.7903		1.7872	1.0911	3.2667	3.6377	2.4295	2.7299	3.3270	2.0772
H5	2.3543	3.8786	1.7789	1.7872		1.0882	3.9860	4.1311	3.6371	3.4406	2.6145	2.0884
C6	2.6248	3.5810	1.0977	1.0911	1.0882		3.0240	3.4409	2.7315	2.5792	2.4252	1.4702
H7	3.8948	2.8450	3.0804	3.2667	3.9860	3.0240		1.7790	1.7903	1.0977	2.7970	2.1387
H8	3.8770	2.3519	3.9864	3.6377	4.1311	3.4409	1.7790		1.7872	1.0882	2.6127	2.0881
H9	4.3659	3.6707	3.2721	2.4295	3.6371	2.7315	1.7903	1.7872		1.0911	3.3270	2.0774
C10	3.5810	2.6258	3.0257	2.7299	3.4406	2.5792	1.0977	1.0882	1.0911		2.4254	1.4702
N11	1.2848	1.2848	2.7949	3.3270	2.6145	2.4252	2.7970	2.6127	3.3270	2.4254		1.4160
N12	2.2974	2.2977	2.1386	2.0772	2.0884	1.4702	2.1387	2.0881	2.0774	1.4702	1.4160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	127.008	O1	N11	N12	116.480
O2	N11	N12	116.501	H3	C6	H4	109.758
H3	C6	H5	108.938	H3	C6	N12	111.965
H4	C6	H5	110.184	H4	C6	N12	107.466
H5	C6	N12	108.512	C6	N12	C10	122.603
C6	N12	N11	114.325	H7	C10	H8	108.945
H7	C10	H9	109.755	H7	C10	N12	111.969
H8	C10	H9	110.189	H8	C10	N12	108.487
H9	C10	N12	107.477	C10	N12	N11	114.342

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3LYP/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	ESP
1	O	-0.310	-0.381
2	O	-0.310	-0.381
3	H	0.213	0.165
4	H	0.211	0.163
5	H	0.251	0.160
6	C	-0.381	-0.361
7	H	0.213	0.164
8	H	0.251	0.158
9	H	0.211	0.161
10	C	-0.381	-0.355
11	N	0.395	0.652
12	N	-0.364	-0.145

	x	y	z	Total
	-4.382	-0.000	0.286	4.391
CHELPG
AIM
ESP	-4.407	-0.001	0.310	4.418

	x	y	z
x	7.231	0.001	0.092
y	0.001	7.060	0.000
z	0.092	0.000	3.704

<r²>	153.519
(<r²>)^1/2	12.390

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)