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	hartrees
Energy at 0K	-66.480936
Energy at 298.15K	-66.489880
Nuclear repulsion energy	145.120087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3209	3071	11.57
2	A	3205	3068	4.96
3	A	3165	3029	51.47
4	A	3161	3026	0.31
5	A	3070	2938	49.81
6	A	3065	2933	27.70
7	A	1693	1620	324.86
8	A	1510	1445	92.51
9	A	1494	1430	39.26
10	A	1488	1424	0.00
11	A	1465	1403	6.20
12	A	1460	1398	72.25
13	A	1421	1360	9.70
14	A	1384	1325	230.65
15	A	1341	1284	3.00
16	A	1273	1218	2.09
17	A	1142	1094	40.78
18	A	1116	1068	1.59
19	A	1046	1001	12.59
20	A	1025	981	46.98
21	A	865	828	9.95
22	A	781	748	16.14
23	A	622	595	1.84
24	A	610	584	8.69
25	A	391	374	3.99
26	A	330	316	2.05
27	A	207	198	9.70
28	A	129	123	0.00
29	A	123	118	3.88
30	A	122	117	0.23

Atom	x (Å)	y (Å)	z (Å)
O1	1.360	1.103	0.033
O2	1.360	-1.103	0.033
H3	-1.191	1.540	1.119
H4	-2.290	1.150	-0.250
H5	-0.780	2.068	-0.539
C6	-1.240	1.266	0.050
H7	-1.191	-1.540	1.119
H8	-0.780	-2.068	-0.539
H9	-2.290	-1.150	-0.250
C10	-1.240	-1.266	0.050
N11	0.800	-0.000	-0.031
N12	-0.567	0.000	-0.224

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2068	2.8076	3.6618	2.4163	2.6049	3.8313	3.8687	4.2995	3.5173	1.2390	2.2352
O2	2.2068		3.8313	4.2995	3.8687	3.5173	2.8077	2.4164	3.6619	2.6050	1.2391	2.2352
H3	2.8076	3.8313		1.7987	1.7889	1.1051	3.0794	3.9921	3.2124	3.0025	2.7676	2.1364
H4	3.6618	4.2995	1.7987		1.7908	1.0989	3.2124	3.5668	2.3004	2.6514	3.3049	2.0724
H5	2.4163	3.8687	1.7889	1.7908		1.0966	3.9921	4.1362	3.5668	3.4164	2.6520	2.1029
C6	2.6049	3.5173	1.1051	1.0989	1.0966		3.0025	3.4164	2.6514	2.5311	2.4018	1.4592
H7	3.8313	2.8077	3.0794	3.2124	3.9921	3.0025		1.7889	1.7987	1.1051	2.7676	2.1364
H8	3.8687	2.4164	3.9921	3.5668	4.1362	3.4164	1.7889		1.7908	1.0966	2.6520	2.1029
H9	4.2995	3.6619	3.2124	2.3004	3.5668	2.6514	1.7987	1.7908		1.0989	3.3049	2.0724
C10	3.5173	2.6050	3.0025	2.6514	3.4164	2.5311	1.1051	1.0966	1.0989		2.4018	1.4592
N11	1.2390	1.2391	2.7676	3.3049	2.6520	2.4018	2.7676	2.6520	3.3049	2.4018		1.3804
N12	2.2352	2.2352	2.1364	2.0724	2.1029	1.4592	2.1364	2.1029	2.0724	1.4592	1.3804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.880	O1	N11	N12	117.048
O2	N11	N12	117.049	H3	C6	H4	109.399
H3	C6	H5	108.681	H3	C6	N12	112.115
H4	C6	H5	109.303	H4	C6	N12	107.380
H5	C6	N12	109.925	C6	N12	C10	120.294
C6	N12	N11	115.495	H7	C10	H8	108.681
H7	C10	H9	109.399	H7	C10	N12	112.115
H8	C10	H9	109.303	H8	C10	N12	109.925
H9	C10	N12	107.380	C10	N12	N11	115.495

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B1B95/CEP-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	-0.119
2	O	-0.119
3	H	0.181
4	H	0.188
5	H	0.232
6	C	-0.551
7	H	0.181
8	H	0.232
9	H	0.188
10	C	-0.551
11	N	-0.011
12	N	0.149

	x	y	z	Total
	-4.850	0.000	0.219	4.855
CHELPG
AIM
ESP

	x	y	z
x	7.721	0.000	0.055
y	0.000	7.546	0.000
z	0.055	0.000	4.293

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B1B95/CEP-31G*

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)