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	hartrees
Energy at 0K	-337.396621
Energy at 298.15K	-337.405148
Nuclear repulsion energy	252.542381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3124	3096	0.20
2	A	3124	3095	0.00
3	A	3050	3023	32.46
4	A	3049	3021	0.86
5	A	2951	2924	64.56
6	A	2947	2920	14.50
7	A	1530	1516	16.66
8	A	1514	1500	4.70
9	A	1512	1498	26.73
10	A	1493	1480	19.71
11	A	1418	1405	10.37
12	A	1410	1397	2.12
13	A	1345	1333	138.12
14	A	1237	1225	0.71
15	A	1219	1208	2.09
16	A	1146	1135	18.56
17	A	1098	1088	5.07
18	A	1064	1054	213.02
19	A	1017	1008	0.08
20	A	891	883	70.45
21	A	747	740	14.97
22	A	650	644	10.37
23	A	550	545	9.41
24	A	536	531	1.33
25	A	377	374	6.29
26	A	358	354	4.72
27	A	180	179	14.97
28	A	149	148	0.00
29	A	82	81	0.61
30	A	56	55	0.24

Atom	x (Å)	y (Å)	z (Å)
O1	-1.399	-1.158	0.035
O2	-1.399	1.158	0.035
H3	1.511	-1.354	1.139
H4	2.202	-1.340	-0.529
H5	0.579	-2.075	-0.224
C6	1.273	-1.274	0.059
H7	1.512	1.354	1.139
H8	0.578	2.075	-0.224
H9	2.201	1.341	-0.529
C10	1.273	1.274	0.059
N11	-0.826	-0.000	-0.028
N12	0.614	0.000	-0.264

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.3162	3.1184	3.6493	2.1955	2.6745	3.9997	3.7984	4.4188	3.6128	1.2937	2.3409
O2	2.3162		3.9995	4.4188	3.7989	3.6129	3.1189	2.1946	3.6487	2.6742	1.2937	2.3408
H3	3.1184	3.9995		1.8054	1.8021	1.1087	2.7075	3.8056	3.2440	2.8509	2.9420	2.1467
H4	3.6493	4.4188	1.8054		1.8071	1.1014	3.2429	3.7938	2.6816	2.8361	3.3488	2.0953
H5	2.1955	3.7989	1.8021	1.8071		1.0972	3.8057	4.1497	3.7940	3.4316	2.5135	2.0756
C6	2.6745	3.6129	1.1087	1.1014	1.0972		2.8506	3.4315	2.8365	2.5476	2.4566	1.4705
H7	3.9997	3.1189	2.7075	3.2429	3.8057	2.8506		1.8022	1.8054	1.1087	2.9423	2.1467
H8	3.7984	2.1946	3.8056	3.7938	4.1497	3.4315	1.8022		1.8071	1.0972	2.5129	2.0755
H9	4.4188	3.6487	3.2440	2.6816	3.7940	2.8365	1.8054	1.8071		1.1014	3.3486	2.0954
C10	3.6128	2.6742	2.8509	2.8361	3.4316	2.5476	1.1087	1.0972	1.1014		2.4565	1.4705
N11	1.2937	1.2937	2.9420	3.3488	2.5135	2.4566	2.9423	2.5129	3.3486	2.4565		1.4584
N12	2.3409	2.3408	2.1467	2.0953	2.0756	1.4705	2.1467	2.0755	2.0954	1.4705	1.4584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	127.068	O1	N11	N12	116.428
O2	N11	N12	116.422	H3	C6	H4	109.544
H3	C6	H5	109.561	H3	C6	N12	111.914
H4	C6	H5	110.559	H4	C6	N12	108.261
H5	C6	N12	106.973	C6	N12	C10	120.051
C6	N12	N11	114.015	H7	C10	H8	109.563
H7	C10	H9	109.545	H7	C10	N12	111.914
H8	C10	H9	110.559	H8	C10	N12	106.967
H9	C10	N12	108.265	C10	N12	N11	114.008

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: PBEPBE/3-21G

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	0.217
4	H	0.231
5	H	0.264
6	C	-0.449
7	H	0.217
8	H	0.264
9	H	0.231
10	C	-0.449
11	N	0.353
12	N	-0.331

	x	y	z	Total
	3.938	0.000	0.363	3.955
CHELPG
AIM
ESP

	x	y	z
x	7.909	0.000	-0.099
y	0.000	7.254	-0.000
z	-0.099	-0.000	3.844

<r²>	155.893
(<r²>)^1/2	12.486

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)