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	hartrees
Energy at 0K	-337.667127
Energy at 298.15K	-337.675949
Nuclear repulsion energy	256.832983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3061	5.78
2	A	3201	3055	0.76
3	A	3164	3020	21.44
4	A	3160	3017	0.03
5	A	3079	2939	23.50
6	A	3073	2934	16.81
7	A	1585	1513	37.27
8	A	1574	1502	6.16
9	A	1552	1482	19.58
10	A	1539	1469	6.65
11	A	1511	1443	17.88
12	A	1486	1419	0.07
13	A	1426	1361	130.58
14	A	1317	1257	7.80
15	A	1277	1219	45.02
16	A	1210	1155	91.99
17	A	1160	1107	2.83
18	A	1154	1101	160.11
19	A	1070	1021	19.03
20	A	986	941	7.91
21	A	794	758	3.32
22	A	711	679	22.38
23	A	604	576	9.84
24	A	589	562	2.13
25	A	403	385	5.96
26	A	340	325	3.81
27	A	161	154	5.52
28	A	148	141	0.01
29	A	134	128	0.29
30	A	74	71	6.22

Atom	x (Å)	y (Å)	z (Å)
O1	-1.356	-1.145	0.024
O2	-1.356	1.145	0.024
H3	1.084	-1.670	1.056
H4	2.292	-1.173	-0.165
H5	0.799	-2.015	-0.660
C6	1.229	-1.296	0.037
H7	1.085	1.670	1.056
H8	0.798	2.015	-0.660
H9	2.292	1.173	-0.166
C10	1.229	1.296	0.037
N11	-0.791	-0.000	-0.027
N12	0.591	0.000	-0.157

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2893	2.7007	3.6531	2.4221	2.5887	3.8659	3.8845	4.3262	3.5549	1.2775	2.2652
O2	2.2893		3.8655	4.3262	3.8849	3.5549	2.7014	2.4213	3.6530	2.5887	1.2775	2.2652
H3	2.7007	3.8655		1.7889	1.7738	1.0956	3.3406	4.0756	3.3229	3.1405	2.7344	2.1224
H4	3.6531	4.3262	1.7889		1.7848	1.0899	3.3218	3.5556	2.3461	2.6963	3.3016	2.0668
H5	2.4221	3.8849	1.7738	1.7848		1.0895	4.0755	4.0302	3.5552	3.4112	2.6434	2.0874
C6	2.5887	3.5549	1.0956	1.0899	1.0895		3.1402	3.4113	2.6966	2.5928	2.4004	1.4577
H7	3.8659	2.7014	3.3406	3.3218	4.0755	3.1402		1.7738	1.7889	1.0956	2.7349	2.1224
H8	3.8845	2.4213	4.0756	3.5556	4.0302	3.4113	1.7738		1.7848	1.0895	2.6429	2.0874
H9	4.3262	3.6530	3.3229	2.3461	3.5552	2.6966	1.7889	1.7848		1.0899	3.3016	2.0668
C10	3.5549	2.5887	3.1405	2.6963	3.4112	2.5928	1.0956	1.0895	1.0899		2.4004	1.4577
N11	1.2775	1.2775	2.7344	3.3016	2.6434	2.4004	2.7349	2.6429	3.3016	2.4004		1.3875
N12	2.2652	2.2652	2.1224	2.0668	2.0874	1.4577	2.1224	2.0874	2.0668	1.4577	1.3875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	127.277	O1	N11	N12	116.361
O2	N11	N12	116.361	H3	C6	H4	109.880
H3	C6	H5	108.536	H3	C6	N12	111.667
H4	C6	H5	109.960	H4	C6	N12	107.569
H5	C6	N12	109.219	C6	N12	C10	125.586
C6	N12	N11	115.041	H7	C10	H8	108.536
H7	C10	H9	109.881	H7	C10	N12	111.670
H8	C10	H9	109.961	H8	C10	N12	109.214
H9	C10	N12	107.569	C10	N12	N11	115.040

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: mPW1PW91/3-21G

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	-0.322
2	O	-0.322
3	H	0.246
4	H	0.232
5	H	0.273
6	C	-0.432
7	H	0.246
8	H	0.273
9	H	0.232
10	C	-0.432
11	N	0.403
12	N	-0.397

	x	y	z	Total
	4.642	0.000	0.201	4.646
CHELPG
AIM
ESP

<r²>	151.531
(<r²>)^1/2	12.310

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)