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	hartrees
Energy at 0K	-339.578238
Energy at 298.15K	-339.587345
Nuclear repulsion energy	261.669183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3062	2.97
2	A	3216	3060	0.96
3	A	3167	3014	28.10
4	A	3164	3011	0.04
5	A	3066	2918	40.11
6	A	3061	2912	22.26
7	A	1716	1633	291.28
8	A	1535	1461	76.24
9	A	1517	1443	26.86
10	A	1513	1439	0.01
11	A	1491	1419	11.72
12	A	1491	1418	64.36
13	A	1444	1374	8.75
14	A	1398	1330	244.90
15	A	1356	1290	2.41
16	A	1301	1238	4.09
17	A	1163	1106	40.14
18	A	1133	1078	2.19
19	A	1069	1017	11.80
20	A	1041	990	61.34
21	A	883	840	9.85
22	A	802	763	20.13
23	A	643	612	1.82
24	A	631	600	9.17
25	A	427	406	4.57
26	A	366	348	2.37
27	A	201	191	8.80
28	A	141	134	0.27
29	A	129	123	2.65
30	A	116	111	0.10

Atom	x (Å)	y (Å)	z (Å)
O1	1.349	1.089	0.031
O2	1.349	-1.089	0.031
H3	-1.226	1.521	1.112
H4	-2.261	1.156	-0.294
H5	-0.743	2.052	-0.512
C6	-1.231	1.258	0.047
H7	-1.227	-1.520	1.112
H8	-0.743	-2.052	-0.511
H9	-2.261	-1.156	-0.295
C10	-1.231	-1.257	0.047
N11	0.797	-0.000	-0.028
N12	-0.561	-0.000	-0.211

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1788	2.8255	3.6247	2.3664	2.5853	3.8227	3.8131	4.2633	3.4878	1.2228	2.2118
O2	2.1788		3.8223	4.2633	3.8135	3.4877	2.8269	2.3656	3.6247	2.5856	1.2228	2.2118
H3	2.8255	3.8223		1.7829	1.7754	1.0963	3.0403	3.9538	3.1958	2.9750	2.7752	2.1225
H4	3.6247	4.2633	1.7829		1.7759	1.0896	3.1939	3.5558	2.3118	2.6458	3.2794	2.0573
H5	2.3664	3.8135	1.7754	1.7759		1.0873	3.9536	4.1048	3.5556	3.3920	2.6112	2.0823
C6	2.5853	3.4877	1.0963	1.0896	1.0873		2.9744	3.3921	2.6463	2.5151	2.3872	1.4483
H7	3.8227	2.8269	3.0403	3.1939	3.9536	2.9744		1.7754	1.7829	1.0963	2.7760	2.1225
H8	3.8131	2.3656	3.9538	3.5558	4.1048	3.3921	1.7754		1.7759	1.0873	2.6107	2.0822
H9	4.2633	3.6247	3.1958	2.3118	3.5556	2.6463	1.7829	1.7759		1.0896	3.2794	2.0573
C10	3.4878	2.5856	2.9750	2.6458	3.3920	2.5151	1.0963	1.0873	1.0896		2.3873	1.4483
N11	1.2228	1.2228	2.7752	3.2794	2.6112	2.3872	2.7760	2.6107	3.2794	2.3873		1.3698
N12	2.2118	2.2118	2.1225	2.0573	2.0823	1.4483	2.1225	2.0822	2.0573	1.4483	1.3698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.982	O1	N11	N12	116.995
O2	N11	N12	117.000	H3	C6	H4	109.304
H3	C6	H5	108.791	H3	C6	N12	112.308
H4	C6	H5	109.334	H4	C6	N12	107.473
H5	C6	N12	109.590	C6	N12	C10	120.517
C6	N12	N11	115.764	H7	C10	H8	108.793
H7	C10	H9	109.304	H7	C10	N12	112.309
H8	C10	H9	109.334	H8	C10	N12	109.585
H9	C10	N12	107.476	C10	N12	N11	115.771

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-31G**

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
1	O	-0.438
2	O	-0.438
3	H	0.157
4	H	0.150
5	H	0.191
6	C	-0.237
7	H	0.157
8	H	0.191
9	H	0.150
10	C	-0.237
11	N	0.669
12	N	-0.315

	x	y	z	Total
	-4.505	0.000	0.173	4.508
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	147.637
(<r²>)^1/2	12.151

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)