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	hartrees
Energy at 0K	-66.555991
Energy at 298.15K	-66.564951
Nuclear repulsion energy	143.926971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3075	11.73
2	A	3180	3071	6.98
3	A	3136	3028	61.94
4	A	3130	3022	0.49
5	A	3043	2938	60.83
6	A	3037	2933	27.96
7	A	1611	1556	287.85
8	A	1514	1462	48.90
9	A	1492	1441	1.53
10	A	1491	1440	15.75
11	A	1473	1422	24.00
12	A	1472	1421	9.86
13	A	1434	1385	7.12
14	A	1335	1289	294.75
15	A	1294	1250	0.58
16	A	1259	1216	1.12
17	A	1143	1104	48.07
18	A	1115	1077	1.88
19	A	1043	1007	14.48
20	A	1000	965	63.89
21	A	835	806	8.81
22	A	750	724	14.86
23	A	606	585	1.65
24	A	593	573	11.14
25	A	411	397	3.41
26	A	347	335	1.76
27	A	212	205	11.95
28	A	138	133	2.82
29	A	136	132	0.33
30	A	112	109	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	1.402	1.112	0.034
O2	1.402	-1.112	0.034
H3	-1.199	1.514	1.126
H4	-2.273	1.162	-0.279
H5	-0.754	2.088	-0.515
C6	-1.227	1.272	0.046
H7	-1.202	-1.512	1.126
H8	-0.753	-2.088	-0.513
H9	-2.273	-1.163	-0.281
C10	-1.228	-1.272	0.046
N11	0.834	-0.000	-0.035
N12	-0.545	-0.000	-0.253

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2238	2.8500	3.6888	2.4299	2.6345	3.8548	3.8969	4.3331	3.5495	1.2504	2.2607
O2	2.2238		3.8542	4.3331	3.8976	3.5496	2.8520	2.4286	3.6886	2.6347	1.2504	2.2608
H3	2.8500	3.8542		1.8026	1.7940	1.1066	3.0258	3.9820	3.2081	2.9876	2.7884	2.1490
H4	3.6888	4.3331	1.8026		1.7941	1.1005	3.2053	3.5955	2.3245	2.6689	3.3265	2.0822
H5	2.4299	3.8976	1.7940	1.7941		1.0970	3.9816	4.1762	3.5951	3.4392	2.6672	2.1147
C6	2.6345	3.5496	1.1066	1.1005	1.0970		2.9867	3.4394	2.6697	2.5443	2.4241	1.4741
H7	3.8548	2.8520	3.0258	3.2053	3.9816	2.9867		1.7940	1.8026	1.1066	2.7894	2.1490
H8	3.8969	2.4286	3.9820	3.5955	4.1762	3.4394	1.7940		1.7941	1.0970	2.6663	2.1146
H9	4.3331	3.6886	3.2081	2.3245	3.5951	2.6697	1.8026	1.7941		1.1005	3.3264	2.0823
C10	3.5495	2.6347	2.9876	2.6689	3.4392	2.5443	1.1066	1.0970	1.1005		2.4241	1.4741
N11	1.2504	1.2504	2.7884	3.3265	2.6672	2.4241	2.7894	2.6663	3.3264	2.4241		1.3967
N12	2.2607	2.2608	2.1490	2.0822	2.1147	1.4741	2.1490	2.1146	2.0823	1.4741	1.3967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.556	O1	N11	N12	117.201
O2	N11	N12	117.205	H3	C6	H4	109.518
H3	C6	H5	108.999	H3	C6	N12	111.973
H4	C6	H5	109.457	H4	C6	N12	107.054
H5	C6	N12	109.802	C6	N12	C10	119.311
C6	N12	N11	115.187	H7	C10	H8	109.001
H7	C10	H9	109.517	H7	C10	N12	111.974
H8	C10	H9	109.457	H8	C10	N12	109.796
H9	C10	N12	107.057	C10	N12	N11	115.192

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3LYP/CEP-31G*

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	-0.136
2	O	-0.136
3	H	0.182
4	H	0.189
5	H	0.238
6	C	-0.540
7	H	0.182
8	H	0.238
9	H	0.189
10	C	-0.540
11	N	0.016
12	N	0.116

	x	y	z	Total
	-4.860	0.000	0.249	4.867
CHELPG
AIM
ESP

	x	y	z
x	7.926	0.000	0.083
y	0.000	7.730	0.001
z	0.083	0.001	4.342

<r²>	124.684
(<r²>)^1/2	11.166

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)