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	hartrees
Energy at 0K	-339.789353
Energy at 298.15K	-339.798385
Nuclear repulsion energy	260.715747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3054	3.69
2	A	3156	3051	2.44
3	A	3115	3011	30.95
4	A	3109	3005	0.24
5	A	3019	2918	46.55
6	A	3014	2913	22.63
7	A	1603	1549	315.39
8	A	1519	1468	38.47
9	A	1500	1450	2.15
10	A	1498	1448	14.60
11	A	1478	1428	8.95
12	A	1476	1427	28.55
13	A	1439	1391	9.71
14	A	1327	1283	295.54
15	A	1310	1266	0.05
16	A	1275	1232	5.63
17	A	1153	1115	56.09
18	A	1127	1089	1.78
19	A	1056	1021	12.94
20	A	1004	970	75.55
21	A	858	830	8.84
22	A	790	764	16.17
23	A	621	600	1.05
24	A	615	595	11.01
25	A	418	404	3.39
26	A	354	342	1.81
27	A	197	190	7.77
28	A	134	129	0.27
29	A	120	116	3.38
30	A	116	112	0.05

Atom	x (Å)	y (Å)	z (Å)
O1	1.358	1.090	0.031
O2	1.358	-1.090	0.030
H3	-1.223	1.532	1.107
H4	-2.272	1.149	-0.278
H5	-0.770	2.056	-0.523
C6	-1.241	1.262	0.047
H7	-1.224	-1.531	1.107
H8	-0.769	-2.056	-0.522
H9	-2.272	-1.149	-0.279
C10	-1.241	-1.262	0.047
N11	0.804	-0.000	-0.028
N12	-0.563	-0.000	-0.210

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1797	2.8311	3.6439	2.4019	2.6047	3.8334	3.8380	4.2763	3.5051	1.2243	2.2220
O2	2.1797		3.8331	4.2763	3.8384	3.5051	2.8324	2.4014	3.6439	2.6050	1.2243	2.2220
H3	2.8311	3.8331		1.7789	1.7706	1.0941	3.0624	3.9660	3.1949	2.9878	2.7819	2.1246
H4	3.6439	4.2763	1.7789		1.7717	1.0871	3.1933	3.5483	2.2980	2.6419	3.2927	2.0604
H5	2.4019	3.8384	1.7706	1.7717		1.0846	3.9658	4.1124	3.5480	3.3991	2.6361	2.0901
C6	2.6047	3.5051	1.0941	1.0871	1.0846		2.9873	3.3992	2.6424	2.5236	2.4035	1.4550
H7	3.8334	2.8324	3.0624	3.1933	3.9658	2.9873		1.7706	1.7789	1.0941	2.7825	2.1246
H8	3.8380	2.4014	3.9660	3.5483	4.1124	3.3992	1.7706		1.7717	1.0846	2.6356	2.0900
H9	4.2763	3.6439	3.1949	2.2980	3.5480	2.6424	1.7789	1.7717		1.0871	3.2927	2.0604
C10	3.5051	2.6050	2.9878	2.6419	3.3991	2.5236	1.0941	1.0846	1.0871		2.4036	1.4550
N11	1.2243	1.2243	2.7819	3.2927	2.6361	2.4035	2.7825	2.6356	3.2927	2.4036		1.3787
N12	2.2220	2.2220	2.1246	2.0604	2.0901	1.4550	2.1246	2.0900	2.0604	1.4550	1.3787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.792	O1	N11	N12	117.090
O2	N11	N12	117.096	H3	C6	H4	109.291
H3	C6	H5	108.715	H3	C6	N12	112.134
H4	C6	H5	109.343	H4	C6	N12	107.407
H5	C6	N12	109.913	C6	N12	C10	120.272
C6	N12	N11	116.002	H7	C10	H8	108.717
H7	C10	H9	109.290	H7	C10	N12	112.134
H8	C10	H9	109.343	H8	C10	N12	109.909
H9	C10	N12	107.410	C10	N12	N11	116.008

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3LYP/cc-pVTZ

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	-0.305	-0.435
2	O	-0.305	-0.435
3	H	0.099	0.154
4	H	0.094	0.153
5	H	0.131	0.151
6	C	-0.174	-0.370
7	H	0.099	0.154
8	H	0.131	0.151
9	H	0.095	0.153
10	C	-0.174	-0.370
11	N	0.393	0.733
12	N	-0.084	-0.038

	x	y	z	Total
	-4.549	0.000	0.103	4.550
CHELPG
AIM
ESP	-4.589	0.000	0.120	4.590

	x	y	z
x	8.500	0.000	0.020
y	0.000	8.413	-0.001
z	0.020	-0.001	5.208

<r²>	149.257
(<r²>)^1/2	12.217

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)