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	hartrees
Energy at 0K	-337.988794
Energy at 298.15K	-337.997548
Nuclear repulsion energy	261.738923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3109	3074	0.08
2	A	3107	3071	0.00
3	A	3055	3021	18.30
4	A	3055	3020	0.05
5	A	2953	2920	37.48
6	A	2948	2915	18.73
7	A	1629	1610	307.07
8	A	1440	1424	188.16
9	A	1414	1398	18.47
10	A	1408	1392	1.25
11	A	1378	1363	92.52
12	A	1377	1362	2.77
13	A	1343	1328	0.19
14	A	1329	1314	24.82
15	A	1320	1305	117.14
16	A	1253	1239	0.79
17	A	1090	1078	36.87
18	A	1059	1047	0.85
19	A	1014	1002	7.75
20	A	996	985	39.59
21	A	868	858	9.00
22	A	768	759	9.30
23	A	629	622	0.82
24	A	619	612	7.21
25	A	409	405	5.60
26	A	355	351	1.81
27	A	158	156	5.20
28	A	141	140	0.07
29	A	87	86	2.08
30	A	51	50	0.09

Atom	x (Å)	y (Å)	z (Å)
O1	1.347	1.096	0.024
O2	1.347	-1.096	0.024
H3	-1.286	1.537	1.109
H4	-2.251	1.159	-0.372
H5	-0.680	2.043	-0.504
C6	-1.228	1.252	0.035
H7	-1.287	-1.537	1.109
H8	-0.680	-2.043	-0.503
H9	-2.251	-1.160	-0.372
C10	-1.229	-1.252	0.035
N11	0.794	-0.000	-0.022
N12	-0.562	-0.000	-0.158

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1924	2.8819	3.6203	2.2990	2.5804	3.8788	3.7741	4.2651	3.4856	1.2287	2.2092
O2	2.1924		3.8787	4.2651	3.7742	3.4856	2.8823	2.2988	3.6203	2.5805	1.2287	2.2092
H3	2.8819	3.8787		1.8070	1.7951	1.1121	3.0735	3.9728	3.2240	2.9890	2.8227	2.1192
H4	3.6203	4.2651	1.8070		1.8071	1.1044	3.2235	3.5697	2.3190	2.6508	3.2769	2.0596
H5	2.2990	3.7742	1.7951	1.8071		1.1029	3.9727	4.0867	3.5696	3.3839	2.5651	2.0756
C6	2.5804	3.4856	1.1121	1.1044	1.1029		2.9889	3.3839	2.6510	2.5043	2.3794	1.4315
H7	3.8788	2.8823	3.0735	3.2235	3.9727	2.9889		1.7951	1.8070	1.1121	2.8229	2.1192
H8	3.7741	2.2988	3.9728	3.5697	4.0867	3.3839	1.7951		1.8071	1.1029	2.5650	2.0756
H9	4.2651	3.6203	3.2240	2.3190	3.5696	2.6510	1.8070	1.8071		1.1044	3.2769	2.0596
C10	3.4856	2.5805	2.9890	2.6508	3.3839	2.5043	1.1121	1.1029	1.1044		2.3794	1.4315
N11	1.2287	1.2287	2.8227	3.2769	2.5651	2.3794	2.8229	2.5650	3.2769	2.3794		1.3630
N12	2.2092	2.2092	2.1192	2.0596	2.0756	1.4315	2.1192	2.0756	2.0596	1.4315	1.3630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.283	O1	N11	N12	116.854
O2	N11	N12	116.855	H3	C6	H4	109.224
H3	C6	H5	108.271	H3	C6	N12	112.235
H4	C6	H5	109.903	H4	C6	N12	107.919
H5	C6	N12	109.277	C6	N12	C10	122.022
C6	N12	N11	116.721	H7	C10	H8	108.272
H7	C10	H9	109.224	H7	C10	N12	112.235
H8	C10	H9	109.903	H8	C10	N12	109.275
H9	C10	N12	107.920	C10	N12	N11	116.723

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: LSDA/aug-cc-pVDZ

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	-0.529
2	O	-0.529
3	H	-0.133
4	H	-0.260
5	H	-0.240
6	C	0.854
7	H	-0.133
8	H	-0.240
9	H	-0.260
10	C	0.853
11	N	0.562
12	N	0.055

	x	y	z	Total
	-4.744	0.000	0.039	4.744
CHELPG
AIM
ESP

	x	y	z
x	10.014	0.001	-0.049
y	0.001	9.394	0.001
z	-0.049	0.001	6.176

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)