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	hartrees
Energy at 0K	-339.539424
Energy at 298.15K	-339.548481
Nuclear repulsion energy	260.915037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3067	2.99
2	A	3197	3064	1.20
3	A	3147	3016	30.00
4	A	3144	3013	0.07
5	A	3047	2920	42.76
6	A	3041	2915	23.27
7	A	1691	1620	275.52
8	A	1526	1462	60.58
9	A	1507	1444	20.74
10	A	1504	1442	0.00
11	A	1483	1421	12.19
12	A	1480	1419	60.20
13	A	1435	1375	8.88
14	A	1377	1320	254.42
15	A	1341	1285	2.11
16	A	1288	1234	3.83
17	A	1155	1107	41.02
18	A	1125	1079	2.30
19	A	1060	1016	11.32
20	A	1025	983	64.84
21	A	872	836	10.09
22	A	790	757	19.17
23	A	634	607	1.45
24	A	624	598	9.04
25	A	423	405	4.45
26	A	363	348	2.28
27	A	199	191	8.96
28	A	139	133	0.25
29	A	128	123	2.49
30	A	112	107	0.10

Atom	x (Å)	y (Å)	z (Å)
O1	1.354	1.093	0.031
O2	1.354	-1.093	0.031
H3	-1.240	1.519	1.114
H4	-2.264	1.161	-0.303
H5	-0.742	2.057	-0.505
C6	-1.236	1.259	0.047
H7	-1.241	-1.518	1.115
H8	-0.741	-2.057	-0.504
H9	-2.264	-1.161	-0.304
C10	-1.236	-1.259	0.048
N11	0.800	-0.000	-0.027
N12	-0.563	-0.000	-0.212

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1858	2.8430	3.6340	2.3681	2.5948	3.8375	3.8205	4.2755	3.4985	1.2265	2.2200
O2	2.1858		3.8371	4.2755	3.8210	3.4985	2.8444	2.3674	3.6340	2.5951	1.2265	2.2201
H3	2.8430	3.8371		1.7852	1.7779	1.0981	3.0369	3.9567	3.2004	2.9761	2.7878	2.1268
H4	3.6340	4.2755	1.7852		1.7783	1.0912	3.1986	3.5656	2.3214	2.6526	3.2884	2.0611
H5	2.3681	3.8210	1.7779	1.7783		1.0887	3.9565	4.1139	3.5653	3.3981	2.6147	2.0854
C6	2.5948	3.4985	1.0981	1.0912	1.0887		2.9755	3.3982	2.6532	2.5188	2.3950	1.4510
H7	3.8375	2.8444	3.0369	3.1986	3.9565	2.9755		1.7780	1.7852	1.0981	2.7885	2.1268
H8	3.8205	2.3674	3.9567	3.5656	4.1139	3.3982	1.7780		1.7783	1.0887	2.6142	2.0853
H9	4.2755	3.6340	3.2004	2.3214	3.5653	2.6532	1.7852	1.7783		1.0912	3.2883	2.0612
C10	3.4985	2.5951	2.9761	2.6526	3.3981	2.5188	1.0981	1.0887	1.0912		2.3951	1.4510
N11	1.2265	1.2265	2.7878	3.2884	2.6147	2.3950	2.7885	2.6142	3.2883	2.3951		1.3759
N12	2.2200	2.2201	2.1268	2.0611	2.0854	1.4510	2.1268	2.0853	2.0612	1.4510	1.3759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.008	O1	N11	N12	116.980
O2	N11	N12	116.986	H3	C6	H4	109.262
H3	C6	H5	108.788	H3	C6	N12	112.356
H4	C6	H5	109.326	H4	C6	N12	107.499
H5	C6	N12	109.568	C6	N12	C10	120.449
C6	N12	N11	115.799	H7	C10	H8	108.790
H7	C10	H9	109.261	H7	C10	N12	112.357
H8	C10	H9	109.326	H8	C10	N12	109.562
H9	C10	N12	107.501	C10	N12	N11	115.806

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3PW91/6-31G**

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	-0.432
2	O	-0.432
3	H	0.154
4	H	0.147
5	H	0.189
6	C	-0.235
7	H	0.154
8	H	0.189
9	H	0.147
10	C	-0.235
11	N	0.655
12	N	-0.303

	x	y	z	Total
	-4.489	0.000	0.170	4.492
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	148.381
(<r²>)^1/2	12.181

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)