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	hartrees
Energy at 0K	-339.656556
Energy at 298.15K	-339.665602
Nuclear repulsion energy	259.874328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3066	4.69
2	A	3190	3064	2.15
3	A	3143	3019	33.07
4	A	3138	3013	0.12
5	A	3047	2926	44.43
6	A	3041	2920	23.60
7	A	1653	1588	266.03
8	A	1543	1482	39.60
9	A	1524	1464	0.72
10	A	1522	1462	11.04
11	A	1505	1445	11.91
12	A	1499	1439	33.78
13	A	1457	1399	5.75
14	A	1355	1301	278.25
15	A	1324	1272	1.62
16	A	1284	1233	3.81
17	A	1166	1119	49.65
18	A	1138	1093	2.63
19	A	1064	1022	13.23
20	A	1012	972	68.38
21	A	859	825	9.99
22	A	778	747	19.64
23	A	624	599	1.41
24	A	616	591	9.89
25	A	423	406	4.01
26	A	358	344	2.14
27	A	208	199	8.76
28	A	142	137	0.38
29	A	127	122	3.10
30	A	119	114	0.03

Atom	x (Å)	y (Å)	z (Å)
O1	-1.359	-1.097	0.033
O2	-1.359	1.097	0.033
H3	1.212	-1.527	1.117
H4	2.278	-1.157	-0.269
H5	0.766	-2.062	-0.520
C6	1.240	-1.265	0.050
H7	1.212	1.527	1.117
H8	0.766	2.062	-0.520
H9	2.278	1.158	-0.269
C10	1.240	1.265	0.050
N11	-0.803	-0.000	-0.030
N12	0.568	-0.000	-0.225

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1945	2.8233	3.6503	2.3986	2.6043	3.8305	3.8475	4.2901	3.5119	1.2317	2.2321
O2	2.1945		3.8305	4.2900	3.8476	3.5119	2.8232	2.3983	3.6501	2.6041	1.2317	2.2320
H3	2.8233	3.8305		1.7875	1.7794	1.0987	3.0539	3.9701	3.2040	2.9887	2.7760	2.1325
H4	3.6503	4.2900	1.7875		1.7799	1.0918	3.2039	3.5660	2.3151	2.6549	3.3001	2.0659
H5	2.3986	3.8476	1.7794	1.7799		1.0890	3.9701	4.1244	3.5660	3.4087	2.6373	2.0927
C6	2.6043	3.5119	1.0987	1.0918	1.0890		2.9887	3.4087	2.6549	2.5296	2.4039	1.4585
H7	3.8305	2.8232	3.0539	3.2039	3.9701	2.9887		1.7794	1.7875	1.0987	2.7759	2.1325
H8	3.8475	2.3983	3.9701	3.5660	4.1244	3.4087	1.7794		1.7799	1.0890	2.6372	2.0927
H9	4.2901	3.6501	3.2040	2.3151	3.5660	2.6549	1.7875	1.7799		1.0918	3.3001	2.0659
C10	3.5119	2.6041	2.9887	2.6549	3.4087	2.5296	1.0987	1.0890	1.0918		2.4038	1.4585
N11	1.2317	1.2317	2.7760	3.3001	2.6373	2.4039	2.7759	2.6372	3.3001	2.4038		1.3844
N12	2.2321	2.2320	2.1325	2.0659	2.0927	1.4585	2.1325	2.0927	2.0659	1.4585	1.3844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.961	O1	N11	N12	117.009
O2	N11	N12	117.003	H3	C6	H4	109.376
H3	C6	H5	108.846	H3	C6	N12	112.243
H4	C6	H5	109.402	H4	C6	N12	107.330
H5	C6	N12	109.606	C6	N12	C10	120.262
C6	N12	N11	115.444	H7	C10	H8	108.846
H7	C10	H9	109.376	H7	C10	N12	112.243
H8	C10	H9	109.402	H8	C10	N12	109.605
H9	C10	N12	107.330	C10	N12	N11	115.439

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3LYP/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	CHELPG	ESP
1	O	-0.426	-0.420	-0.408
2	O	-0.426	-0.420	-0.408
3	H	0.171	0.096	0.144
4	H	0.166	0.098	0.144
5	H	0.205	0.094	0.137
6	C	-0.306	-0.136	-0.318
7	H	0.171	0.096	0.144
8	H	0.205	0.094	0.137
9	H	0.166	0.098	0.144
10	C	-0.306	-0.136	-0.318
11	N	0.637	0.725	0.683
12	N	-0.257	-0.189	-0.081

	x	y	z	Total
	4.458	0.000	0.173	4.461
CHELPG	4.497	0.000	0.208	4.502
AIM
ESP	4.510	0.000	0.194	4.514

	x	y	z
x	7.622	0.001	-0.058
y	0.001	7.446	0.001
z	-0.058	0.001	4.387

<r²>	149.432
(<r²>)^1/2	12.224

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)