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	hartrees
Energy at 0K	-339.663657
Energy at 298.15K	-339.672783
Nuclear repulsion energy	262.024980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3196	3057	3.90
2	A	3193	3054	1.45
3	A	3146	3010	31.29
4	A	3143	3006	0.08
5	A	3045	2913	47.03
6	A	3039	2908	22.01
7	A	1690	1617	332.65
8	A	1524	1458	68.96
9	A	1504	1439	30.82
10	A	1502	1437	0.02
11	A	1479	1415	57.01
12	A	1478	1414	10.36
13	A	1437	1375	11.67
14	A	1380	1320	274.09
15	A	1349	1291	0.98
16	A	1294	1238	5.63
17	A	1157	1107	42.14
18	A	1128	1079	1.60
19	A	1065	1019	11.16
20	A	1035	990	71.38
21	A	886	848	10.44
22	A	804	770	18.37
23	A	643	615	1.27
24	A	631	604	9.80
25	A	423	404	3.80
26	A	365	349	2.38
27	A	202	193	8.72
28	A	139	133	0.30
29	A	132	126	3.02
30	A	118	112	0.10

Atom	x (Å)	y (Å)	z (Å)
O1	1.350	1.083	0.030
O2	1.350	-1.083	0.030
H3	-1.234	1.515	1.112
H4	-2.260	1.153	-0.301
H5	-0.745	2.053	-0.507
C6	-1.233	1.256	0.047
H7	-1.236	-1.514	1.112
H8	-0.744	-2.053	-0.505
H9	-2.260	-1.153	-0.302
C10	-1.233	-1.256	0.047
N11	0.800	-0.000	-0.027
N12	-0.559	-0.000	-0.210

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1667	2.8340	3.6252	2.3698	2.5887	3.8213	3.8089	4.2589	3.4848	1.2163	2.2081
O2	2.1667		3.8207	4.2589	3.8094	3.4848	2.8358	2.3689	3.6252	2.5890	1.2163	2.2082
H3	2.8340	3.8207		1.7826	1.7741	1.0958	3.0292	3.9478	3.1891	2.9683	2.7802	2.1206
H4	3.6252	4.2589	1.7826		1.7739	1.0887	3.1867	3.5517	2.3058	2.6409	3.2810	2.0563
H5	2.3698	3.8094	1.7741	1.7739		1.0862	3.9475	4.1056	3.5514	3.3898	2.6135	2.0824
C6	2.5887	3.4848	1.0958	1.0887	1.0862		2.9675	3.3899	2.6416	2.5115	2.3907	1.4481
H7	3.8213	2.8358	3.0292	3.1867	3.9475	2.9675		1.7741	1.7827	1.0958	2.7811	2.1206
H8	3.8089	2.3689	3.9478	3.5517	4.1056	3.3899	1.7741		1.7739	1.0862	2.6129	2.0823
H9	4.2589	3.6252	3.1891	2.3058	3.5514	2.6416	1.7827	1.7739		1.0887	3.2809	2.0563
C10	3.4848	2.5890	2.9683	2.6409	3.3898	2.5115	1.0958	1.0862	1.0887		2.3909	1.4481
N11	1.2163	1.2163	2.7802	3.2810	2.6135	2.3907	2.7811	2.6129	3.2809	2.3909		1.3714
N12	2.2081	2.2082	2.1206	2.0563	2.0824	1.4481	2.1206	2.0823	2.0563	1.4481	1.3714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.923	O1	N11	N12	117.022
O2	N11	N12	117.029	H3	C6	H4	109.378
H3	C6	H5	108.785	H3	C6	N12	112.203
H4	C6	H5	109.296	H4	C6	N12	107.458
H5	C6	N12	109.680	C6	N12	C10	120.263
C6	N12	N11	115.947	H7	C10	H8	108.787
H7	C10	H9	109.378	H7	C10	N12	112.204
H8	C10	H9	109.296	H8	C10	N12	109.674
H9	C10	N12	107.461	C10	N12	N11	115.956

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-311G**

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	-0.322
2	O	-0.322
3	H	0.140
4	H	0.129
5	H	0.167
6	C	-0.179
7	H	0.140
8	H	0.167
9	H	0.129
10	C	-0.179
11	N	0.428
12	N	-0.300

	x	y	z	Total
	-4.551	0.000	0.147	4.553
CHELPG
AIM
ESP

	x	y	z
x	7.756	0.000	0.025
y	0.000	7.788	0.000
z	0.025	0.000	4.631

<r²>	147.722
(<r²>)^1/2	12.154

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)