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	hartrees
Energy at 0K	-339.570568
Energy at 298.15K	-339.579666
Nuclear repulsion energy	261.685749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3224	3057	4.08
2	A	3221	3054	1.28
3	A	3175	3011	28.89
4	A	3171	3007	0.06
5	A	3077	2918	38.79
6	A	3071	2912	23.34
7	A	1716	1628	290.86
8	A	1550	1469	67.43
9	A	1530	1451	22.56
10	A	1528	1449	0.02
11	A	1508	1430	11.10
12	A	1506	1429	55.70
13	A	1460	1385	7.25
14	A	1402	1330	264.38
15	A	1361	1291	2.52
16	A	1305	1237	4.50
17	A	1171	1111	41.02
18	A	1143	1084	2.27
19	A	1075	1019	13.19
20	A	1045	991	58.25
21	A	884	838	10.03
22	A	802	761	20.59
23	A	644	611	1.91
24	A	632	599	9.21
25	A	428	406	4.31
26	A	363	344	2.21
27	A	205	194	8.40
28	A	140	133	0.35
29	A	123	116	3.09
30	A	122	116	0.12

Atom	x (Å)	y (Å)	z (Å)
O1	1.348	1.090	0.031
O2	1.348	-1.090	0.031
H3	-1.198	1.535	1.109
H4	-2.267	1.148	-0.266
H5	-0.760	2.049	-0.535
C6	-1.229	1.259	0.048
H7	-1.199	-1.534	1.109
H8	-0.759	-2.049	-0.534
H9	-2.267	-1.149	-0.268
C10	-1.230	-1.259	0.048
N11	0.796	-0.000	-0.029
N12	-0.561	-0.000	-0.211

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1793	2.7998	3.6276	2.3836	2.5824	3.8124	3.8221	4.2621	3.4866	1.2228	2.2113
O2	2.1793		3.8119	4.2621	3.8226	3.4866	2.8013	2.3828	3.6276	2.5827	1.2228	2.2114
H3	2.7998	3.8119		1.7846	1.7768	1.0969	3.0695	3.9670	3.2002	2.9888	2.7613	2.1223
H4	3.6276	4.2621	1.7846		1.7765	1.0902	3.1982	3.5454	2.2969	2.6400	3.2801	2.0572
H5	2.3836	3.8226	1.7768	1.7765		1.0881	3.9667	4.0981	3.5451	3.3913	2.6221	2.0838
C6	2.5824	3.4866	1.0969	1.0902	1.0881		2.9881	3.3914	2.6406	2.5176	2.3858	1.4484
H7	3.8124	2.8013	3.0695	3.1982	3.9667	2.9881		1.7768	1.7846	1.0969	2.7620	2.1224
H8	3.8221	2.3828	3.9670	3.5454	4.0981	3.3914	1.7768		1.7765	1.0881	2.6215	2.0837
H9	4.2621	3.6276	3.2002	2.2969	3.5451	2.6406	1.7846	1.7765		1.0902	3.2801	2.0573
C10	3.4866	2.5827	2.9888	2.6400	3.3913	2.5176	1.0969	1.0881	1.0902		2.3858	1.4484
N11	1.2228	1.2228	2.7613	3.2801	2.6221	2.3858	2.7620	2.6215	3.2801	2.3858		1.3695
N12	2.2113	2.2114	2.1223	2.0572	2.0838	1.4484	2.1224	2.0837	2.0573	1.4484	1.3695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.025	O1	N11	N12	116.974
O2	N11	N12	116.980	H3	C6	H4	109.364
H3	C6	H5	108.818	H3	C6	N12	112.253
H4	C6	H5	109.279	H4	C6	N12	107.424
H5	C6	N12	109.660	C6	N12	C10	120.706
C6	N12	N11	115.665	H7	C10	H8	108.820
H7	C10	H9	109.364	H7	C10	N12	112.254
H8	C10	H9	109.280	H8	C10	N12	109.654
H9	C10	N12	107.426	C10	N12	N11	115.673

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-31G*

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	-0.436
2	O	-0.437
3	H	0.197
4	H	0.191
5	H	0.231
6	C	-0.374
7	H	0.197
8	H	0.231
9	H	0.191
10	C	-0.374
11	N	0.667
12	N	-0.285

	x	y	z	Total
	-4.511	0.000	0.170	4.514
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>	147.591
(<r²>)^1/2	12.149

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)