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	hartrees
Energy at 0K	-339.795358
Energy at 298.15K	-339.804379
HF Energy	-339.795358
Nuclear repulsion energy	260.694472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3054	3.50
2	A	3153	3050	2.63
3	A	3115	3014	27.95
4	A	3109	3008	0.19
5	A	3021	2923	42.74
6	A	3016	2918	22.23
7	A	1580	1529	344.69
8	A	1519	1469	40.00
9	A	1499	1450	5.40
10	A	1497	1448	15.20
11	A	1476	1428	6.87
12	A	1475	1427	26.37
13	A	1439	1393	9.80
14	A	1321	1278	314.39
15	A	1309	1267	0.05
16	A	1272	1231	5.11
17	A	1151	1114	60.56
18	A	1127	1090	1.23
19	A	1055	1021	14.19
20	A	1006	974	67.93
21	A	856	828	6.86
22	A	788	763	13.97
23	A	621	600	1.02
24	A	615	595	11.64
25	A	415	402	3.28
26	A	349	338	1.51
27	A	198	192	7.34
28	A	129	125	0.24
29	A	122	118	0.04
30	A	116	112	4.02

Atom	x (Å)	y (Å)	z (Å)
O1	-1.358	-1.087	0.030
O2	-1.358	1.087	0.030
H3	1.179	-1.561	1.095
H4	2.285	-1.127	-0.229
H5	0.812	-2.047	-0.568
C6	1.243	-1.263	0.045
H7	1.179	1.561	1.095
H8	0.811	2.048	-0.567
H9	2.285	1.128	-0.229
C10	1.242	1.263	0.045
N11	-0.805	-0.000	-0.027
N12	0.556	0.000	-0.203

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1737	2.7919	3.6523	2.4470	2.6064	3.8182	3.8583	4.2707	3.5048	1.2207	2.2131
O2	2.1737		3.8183	4.2707	3.8586	3.5049	2.7917	2.4465	3.6520	2.6061	1.2207	2.2131
H3	2.7919	3.8183		1.7787	1.7706	1.0928	3.1214	3.9897	3.1940	3.0133	2.7626	2.1235
H4	3.6523	4.2707	1.7787		1.7696	1.0865	3.1939	3.5163	2.2546	2.6223	3.2954	2.0643
H5	2.4470	3.8586	1.7706	1.7696		1.0845	3.9896	4.0950	3.5163	3.3943	2.6643	2.0953
C6	2.6064	3.5049	1.0928	1.0865	1.0845		3.0133	3.3943	2.6223	2.5263	2.4069	1.4590
H7	3.8182	2.7917	3.1214	3.1939	3.9896	3.0133		1.7706	1.7787	1.0928	2.7625	2.1235
H8	3.8583	2.4465	3.9897	3.5163	4.0950	3.3943	1.7706		1.7697	1.0845	2.6640	2.0953
H9	4.2707	3.6520	3.1940	2.2546	3.5163	2.6223	1.7787	1.7697		1.0865	3.2953	2.0642
C10	3.5048	2.6061	3.0133	2.6223	3.3943	2.5263	1.0928	1.0845	1.0865		2.4068	1.4590
N11	1.2207	1.2207	2.7626	3.2954	2.6643	2.4069	2.7625	2.6640	3.2953	2.4068		1.3722
N12	2.2131	2.2131	2.1235	2.0643	2.0953	1.4590	2.1235	2.0953	2.0642	1.4590	1.3722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.837	O1	N11	N12	117.075
O2	N11	N12	117.070	H3	C6	H4	109.402
H3	C6	H5	108.823	H3	C6	N12	111.842
H4	C6	H5	109.199	H4	C6	N12	107.472
H5	C6	N12	110.064	C6	N12	C10	119.941
C6	N12	N11	116.418	H7	C10	H8	108.824
H7	C10	H9	109.403	H7	C10	N12	111.842
H8	C10	H9	109.200	H8	C10	N12	110.062
H9	C10	N12	107.470	C10	N12	N11	116.408

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	-0.705
2	O	-0.705
3	H	0.242
4	H	0.275
5	H	0.284
6	C	-0.667
7	H	0.242
8	H	0.284
9	H	0.275
10	C	-0.667
11	N	1.129
12	N	0.012

	x	y	z	Total
	4.761	0.000	0.110	4.762
CHELPG
AIM
ESP

	x	y	z
x	9.416	0.000	-0.030
y	0.000	9.076	0.000
z	-0.030	0.000	5.933

<r²>	149.527
(<r²>)^1/2	12.228

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)