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	hartrees
Energy at 0K	-339.585144
Energy at 298.15K	-339.594166
Nuclear repulsion energy	260.952089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3186	3074	2.93
2	A	3183	3070	1.91
3	A	3139	3028	29.16
4	A	3135	3024	0.05
5	A	3036	2929	42.95
6	A	3031	2923	23.32
7	A	1644	1586	342.61
8	A	1494	1442	86.62
9	A	1476	1424	24.55
10	A	1471	1419	0.29
11	A	1450	1399	40.93
12	A	1448	1397	7.81
13	A	1410	1360	8.20
14	A	1360	1312	269.76
15	A	1335	1288	0.39
16	A	1278	1233	3.75
17	A	1136	1096	46.19
18	A	1109	1069	1.33
19	A	1052	1015	12.62
20	A	1025	988	55.67
21	A	869	838	8.58
22	A	789	761	12.86
23	A	633	610	1.14
24	A	621	599	9.80
25	A	418	404	3.94
26	A	352	340	1.53
27	A	194	187	7.50
28	A	131	126	0.19
29	A	118	114	3.79
30	A	112	108	0.11

Atom	x (Å)	y (Å)	z (Å)
O1	1.354	1.091	0.030
O2	1.354	-1.091	0.030
H3	-1.211	1.541	1.111
H4	-2.275	1.145	-0.277
H5	-0.762	2.056	-0.537
C6	-1.235	1.262	0.046
H7	-1.214	-1.539	1.112
H8	-0.760	-2.056	-0.535
H9	-2.274	-1.146	-0.280
C10	-1.235	-1.261	0.046
N11	0.798	-0.000	-0.027
N12	-0.561	-0.000	-0.204

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1827	2.8196	3.6417	2.3930	2.5941	3.8319	3.8333	4.2733	3.4982	1.2261	2.2160
O2	2.1827		3.8310	4.2733	3.8342	3.4982	2.8225	2.3914	3.6416	2.5946	1.2261	2.2161
H3	2.8196	3.8310		1.7930	1.7849	1.1019	3.0795	3.9812	3.2064	2.9978	2.7761	2.1275
H4	3.6417	4.2733	1.7930		1.7850	1.0949	3.2027	3.5508	2.2908	2.6411	3.2884	2.0626
H5	2.3930	3.8342	1.7849	1.7850		1.0930	3.9807	4.1118	3.5501	3.4010	2.6302	2.0923
C6	2.5941	3.4982	1.1019	1.0949	1.0930		2.9966	3.4013	2.6421	2.5228	2.3934	1.4519
H7	3.8319	2.8225	3.0795	3.2027	3.9807	2.9966		1.7850	1.7930	1.1019	2.7775	2.1275
H8	3.8333	2.3914	3.9812	3.5508	4.1118	3.4013	1.7850		1.7850	1.0929	2.6292	2.0921
H9	4.2733	3.6416	3.2064	2.2908	3.5501	2.6421	1.7930	1.7850		1.0950	3.2884	2.0626
C10	3.4982	2.5946	2.9978	2.6411	3.4010	2.5228	1.1019	1.0929	1.0950		2.3936	1.4519
N11	1.2261	1.2261	2.7761	3.2884	2.6302	2.3934	2.7775	2.6292	3.2884	2.3936		1.3699
N12	2.2160	2.2161	2.1275	2.0626	2.0923	1.4519	2.1275	2.0921	2.0626	1.4519	1.3699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.768	O1	N11	N12	117.101
O2	N11	N12	117.111	H3	C6	H4	109.403
H3	C6	H5	108.824	H3	C6	N12	112.101
H4	C6	H5	109.342	H4	C6	N12	107.333
H5	C6	N12	109.800	C6	N12	C10	120.640
C6	N12	N11	115.997	H7	C10	H8	108.828
H7	C10	H9	109.402	H7	C10	N12	112.103
H8	C10	H9	109.341	H8	C10	N12	109.791
H9	C10	N12	107.337	C10	N12	N11	116.009

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3PW91/aug-cc-pVDZ

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	-0.639
2	O	-0.639
3	H	-0.091
4	H	-0.228
5	H	-0.190
6	C	0.875
7	H	-0.090
8	H	-0.191
9	H	-0.227
10	C	0.875
11	N	0.725
12	N	-0.180

	x	y	z	Total
	-4.732	0.000	0.115	4.733
CHELPG
AIM
ESP

	x	y	z
x	9.350	0.000	0.024
y	0.000	8.996	-0.000
z	0.024	-0.000	5.876

<r²>	148.877
(<r²>)^1/2	12.201

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)