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	hartrees
Energy at 0K	-337.782176
Energy at 298.15K	-337.791729
Nuclear repulsion energy	265.013445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3347	3027	12.07
2	A	3343	3024	7.92
3	A	3299	2983	59.35
4	A	3287	2973	0.27
5	A	3201	2895	60.31
6	A	3195	2889	27.14
7	A	1817	1644	604.76
8	A	1659	1500	102.66
9	A	1648	1491	40.20
10	A	1637	1480	1.98
11	A	1628	1472	28.61
12	A	1622	1467	9.32
13	A	1582	1431	3.53
14	A	1541	1393	332.82
15	A	1436	1299	0.00
16	A	1416	1281	12.51
17	A	1274	1152	39.07
18	A	1238	1119	3.08
19	A	1153	1043	18.93
20	A	1144	1034	90.81
21	A	955	864	11.65
22	A	911	824	31.05
23	A	697	630	4.82
24	A	674	609	19.75
25	A	461	417	4.41
26	A	394	356	2.56
27	A	249	225	8.42
28	A	175	158	0.67
29	A	165	149	4.42
30	A	128	116	0.05

Atom	x (Å)	y (Å)	z (Å)
O1	1.335	1.056	0.035
O2	1.335	-1.056	0.035
H3	-1.179	1.505	1.108
H4	-2.252	1.133	-0.244
H5	-0.783	2.054	-0.518
C6	-1.222	1.254	0.053
H7	-1.180	-1.505	1.108
H8	-0.784	-2.053	-0.518
H9	-2.253	-1.132	-0.245
C10	-1.222	-1.253	0.053
N11	0.791	-0.000	-0.032
N12	-0.543	0.000	-0.237

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1120	2.7699	3.5990	2.4062	2.5646	3.7459	3.8032	4.2116	3.4459	1.1896	2.1717
O2	2.1120		3.7456	4.2115	3.8031	3.4457	2.7704	2.4063	3.5991	2.5648	1.1895	2.1717
H3	2.7699	3.7456		1.7660	1.7609	1.0855	3.0099	3.9322	3.1526	2.9540	2.7290	2.1162
H4	3.5990	4.2115	1.7660		1.7549	1.0791	3.1519	3.5188	2.2651	2.6160	3.2546	2.0504
H5	2.4062	3.8031	1.7609	1.7549		1.0758	3.9321	4.1068	3.5188	3.3845	2.6333	2.0865
C6	2.5646	3.4457	1.0855	1.0791	1.0758		2.9538	3.3846	2.6163	2.5075	2.3734	1.4549
H7	3.7459	2.7704	3.0099	3.1519	3.9321	2.9538		1.7609	1.7660	1.0855	2.7294	2.1162
H8	3.8032	2.4063	3.9322	3.5188	4.1068	3.3846	1.7609		1.7549	1.0758	2.6333	2.0865
H9	4.2116	3.5991	3.1526	2.2651	3.5188	2.6163	1.7660	1.7549		1.0791	3.2548	2.0505
C10	3.4459	2.5648	2.9540	2.6160	3.3845	2.5075	1.0855	1.0758	1.0791		2.3736	1.4549
N11	1.1896	1.1895	2.7290	3.2546	2.6333	2.3734	2.7294	2.6333	3.2548	2.3736		1.3502
N12	2.1717	2.1717	2.1162	2.0504	2.0865	1.4549	2.1162	2.0865	2.0505	1.4549	1.3502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.179	O1	N11	N12	117.399
O2	N11	N12	117.397	H3	C6	H4	109.344
H3	C6	H5	109.126	H3	C6	N12	111.998
H4	C6	H5	109.051	H4	C6	N12	107.093
H5	C6	N12	110.170	C6	N12	C10	119.023
C6	N12	N11	115.530	H7	C10	H8	109.125
H7	C10	H9	109.342	H7	C10	N12	111.997
H8	C10	H9	109.049	H8	C10	N12	110.170
H9	C10	N12	107.098	C10	N12	N11	115.541

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: HF/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	CHELPG	ESP
1	O	-0.415	-0.526	-0.516
2	O	-0.415	-0.526	-0.516
3	H	0.227	0.102	0.171
4	H	0.224	0.106	0.170
5	H	0.263	0.102	0.166
6	C	-0.449	-0.139	-0.395
7	H	0.227	0.102	0.171
8	H	0.263	0.102	0.166
9	H	0.224	0.107	0.170
10	C	-0.449	-0.140	-0.395
11	N	0.638	0.991	0.954
12	N	-0.339	-0.280	-0.146

	x	y	z	Total
	-4.801	0.001	0.211	4.806
CHELPG
AIM
ESP	-4.834	0.001	0.234	4.839

	x	y	z
x	6.661	0.000	0.064
y	0.000	7.160	-0.000
z	0.064	-0.000	4.331

<r²>	145.537
(<r²>)^1/2	12.064

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)