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	hartrees
Energy at 0K	-336.465764
Energy at 298.15K	-336.474752
HF Energy	-335.763470
Nuclear repulsion energy	252.570990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3232	3085	2.75
2	A	3230	3083	1.20
3	A	3172	3028	28.99
4	A	3168	3024	0.26
5	A	3074	2934	40.96
6	A	3072	2932	10.18
7	A	1682	1605	25.19
8	A	1611	1538	28.05
9	A	1598	1525	0.35
10	A	1593	1520	10.45
11	A	1582	1510	15.86
12	A	1526	1457	5.19
13	A	1500	1432	5.13
14	A	1283	1225	28.62
15	A	1264	1207	6.69
16	A	1222	1166	18.88
17	A	1168	1115	6.75
18	A	1160	1107	220.42
19	A	1049	1001	10.41
20	A	920	878	48.32
21	A	772	737	21.68
22	A	690	659	17.33
23	A	572	546	4.16
24	A	568	542	1.32
25	A	404	385	5.10
26	A	360	343	2.04
27	A	242	231	19.00
28	A	174	166	0.37
29	A	146	139	2.42
30	A	85	81	0.02

Atom	x (Å)	y (Å)	z (Å)
O1	1.384	1.161	0.050
O2	1.384	-1.161	0.050
H3	-1.180	1.429	1.167
H4	-2.301	1.223	-0.217
H5	-0.757	2.099	-0.431
C6	-1.252	1.278	0.081
H7	-1.181	-1.428	1.167
H8	-0.755	-2.099	-0.430
H9	-2.300	-1.224	-0.218
C10	-1.252	-1.278	0.082
N11	0.811	0.000	-0.051
N12	-0.618	-0.000	-0.351

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.3215	2.8090	3.6944	2.3861	2.6385	3.8116	3.9284	4.3965	3.5909	1.2983	2.3482
O2	2.3215		3.8112	4.3965	3.9292	3.5910	2.8108	2.3848	3.6944	2.6388	1.2983	2.3482
H3	2.8090	3.8112		1.7923	1.7836	1.0979	2.8566	3.8953	3.1953	2.9167	2.7360	2.1586
H4	3.6944	4.3965	1.7923		1.7878	1.0915	3.1930	3.6700	2.4471	2.7281	3.3473	2.0847
H5	2.3861	3.9292	1.7836	1.7878		1.0875	3.8952	4.1979	3.6700	3.4511	2.6472	2.1051
C6	2.6385	3.5910	1.0979	1.0915	1.0875		2.9160	3.4511	2.7289	2.5554	2.4301	1.4906
H7	3.8116	2.8108	2.8566	3.1930	3.8952	2.9160		1.7836	1.7923	1.0979	2.7368	2.1587
H8	3.9284	2.3848	3.8953	3.6700	4.1979	3.4511	1.7836		1.7878	1.0875	2.6463	2.1050
H9	4.3965	3.6944	3.1953	2.4471	3.6700	2.7289	1.7923	1.7878		1.0915	3.3473	2.0847
C10	3.5909	2.6388	2.9167	2.7281	3.4511	2.5554	1.0979	1.0875	1.0915		2.4301	1.4905
N11	1.2983	1.2983	2.7360	3.3473	2.6472	2.4301	2.7368	2.6463	3.3473	2.4301		1.4598
N12	2.3482	2.3482	2.1586	2.0847	2.1051	1.4906	2.1587	2.1050	2.0847	1.4905	1.4598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.768	O1	N11	N12	116.596
O2	N11	N12	116.603	H3	C6	H4	109.891
H3	C6	H5	109.402	H3	C6	N12	112.122
H4	C6	H5	110.262	H4	C6	N12	106.653
H5	C6	N12	108.470	C6	N12	C10	118.007
C6	N12	N11	110.901	H7	C10	H8	109.403
H7	C10	H9	109.891	H7	C10	N12	112.125
H8	C10	H9	110.264	H8	C10	N12	108.461
H9	C10	N12	106.657	C10	N12	N11	110.904

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: MP2/3-21G

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	-0.279	-0.339
2	O	-0.279	-0.339
3	H	0.194	0.148
4	H	0.205	0.156
5	H	0.241	0.151
6	C	-0.371	-0.301
7	H	0.194	0.148
8	H	0.241	0.151
9	H	0.205	0.156
10	C	-0.371	-0.302
11	N	0.393	0.645
12	N	-0.371	-0.274

	x	y	z	Total
	-3.758	-0.000	0.579	3.802
CHELPG
AIM
ESP	-3.789	0.000	0.618	3.839

	x	y	z
x	7.156	0.000	0.207
y	0.000	7.336	0.000
z	0.207	0.000	3.746

<r²>	155.227
(<r²>)^1/2	12.459

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)