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	hartrees
Energy at 0K	-339.377381
Energy at 298.15K	-339.386331
Nuclear repulsion energy	258.733991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3109	3077	4.91
2	A	3107	3074	1.86
3	A	3053	3021	38.31
4	A	3048	3017	0.38
5	A	2948	2917	64.80
6	A	2942	2912	26.07
7	A	1584	1568	255.08
8	A	1485	1469	34.53
9	A	1463	1448	0.27
10	A	1462	1447	13.80
11	A	1442	1427	14.42
12	A	1432	1417	36.65
13	A	1393	1379	17.87
14	A	1282	1269	0.59
15	A	1282	1269	239.37
16	A	1231	1218	6.69
17	A	1119	1107	49.08
18	A	1092	1081	1.79
19	A	1026	1016	7.38
20	A	952	942	86.86
21	A	840	831	17.95
22	A	748	740	14.41
23	A	597	591	2.07
24	A	597	590	7.96
25	A	407	403	2.82
26	A	351	348	1.90
27	A	207	205	11.57
28	A	141	140	1.83
29	A	139	138	0.33
30	A	107	106	0.05

Atom	x (Å)	y (Å)	z (Å)
O1	-1.369	-1.102	0.034
O2	-1.369	1.102	0.034
H3	1.278	-1.475	1.137
H4	2.277	-1.182	-0.327
H5	0.736	-2.077	-0.457
C6	1.250	-1.257	0.054
H7	1.278	1.475	1.137
H8	0.735	2.077	-0.457
H9	2.277	1.182	-0.327
C10	1.250	1.257	0.054
N11	-0.817	-0.000	-0.029
N12	0.576	-0.000	-0.242

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2031	2.8918	3.6648	2.3709	2.6236	3.8549	3.8433	4.3171	3.5242	1.2337	2.2517
O2	2.2031		3.8549	4.3170	3.8434	3.5242	2.8916	2.3705	3.6646	2.6233	1.2337	2.2516
H3	2.8918	3.8549		1.7970	1.7885	1.1058	2.9498	3.9309	3.1939	2.9390	2.8146	2.1378
H4	3.6648	4.3170	1.7970		1.7875	1.0981	3.1938	3.6073	2.3634	2.6733	3.3253	2.0734
H5	2.3709	3.8434	1.7885	1.7875		1.0946	3.9309	4.1538	3.6073	3.4116	2.6281	2.0942
C6	2.6236	3.5242	1.1058	1.0981	1.0946		2.9389	3.4116	2.6733	2.5136	2.4202	1.4565
H7	3.8549	2.8916	2.9498	3.1938	3.9309	2.9389		1.7885	1.7970	1.1058	2.8146	2.1378
H8	3.8433	2.3705	3.9309	3.6073	4.1538	3.4116	1.7885		1.7875	1.0946	2.6279	2.0941
H9	4.3171	3.6646	3.1939	2.3634	3.6073	2.6733	1.7970	1.7875		1.0981	3.3253	2.0734
C10	3.5242	2.6233	2.9390	2.6733	3.4116	2.5136	1.1058	1.0946	1.0981		2.4201	1.4565
N11	1.2337	1.2337	2.8146	3.3253	2.6281	2.4202	2.8146	2.6279	3.3253	2.4201		1.4085
N12	2.2517	2.2516	2.1378	2.0734	2.0942	1.4565	2.1378	2.0941	2.0734	1.4565	1.4085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.464	O1	N11	N12	116.749
O2	N11	N12	116.742	H3	C6	H4	109.243
H3	C6	H5	108.744	H3	C6	N12	112.368
H4	C6	H5	109.223	H4	C6	N12	107.687
H5	C6	N12	109.531	C6	N12	C10	119.280
C6	N12	N11	115.278	H7	C10	H8	108.744
H7	C10	H9	109.243	H7	C10	N12	112.368
H8	C10	H9	109.223	H8	C10	N12	109.530
H9	C10	N12	107.688	C10	N12	N11	115.273

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: PBEPBE/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
1	O	-0.274
2	O	-0.274
3	H	0.228
4	H	0.229
5	H	0.262
6	C	-0.525
7	H	0.228
8	H	0.262
9	H	0.229
10	C	-0.525
11	N	0.349
12	N	-0.188

	x	y	z	Total
	4.254	0.000	0.159	4.257
CHELPG
AIM
ESP

	x	y	z
x	8.300	0.000	-0.020
y	0.000	8.104	0.000
z	-0.020	0.000	4.800

<r²>	150.831
(<r²>)^1/2	12.281

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)