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	hartrees
Energy at 0K	-337.412611
Energy at 298.15K	-337.421386
HF Energy	-337.412611
Nuclear repulsion energy	256.878386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3085	4.87
2	A	3198	3080	0.66
3	A	3159	3043	21.34
4	A	3155	3039	0.01
5	A	3071	2958	25.57
6	A	3066	2953	16.29
7	A	1580	1522	37.14
8	A	1569	1511	6.46
9	A	1548	1491	19.57
10	A	1534	1478	7.58
11	A	1505	1450	19.46
12	A	1481	1427	0.07
13	A	1426	1373	131.26
14	A	1316	1267	6.89
15	A	1275	1228	39.94
16	A	1210	1165	86.01
17	A	1155	1113	3.34
18	A	1149	1107	169.47
19	A	1067	1028	17.18
20	A	984	948	10.36
21	A	796	767	3.81
22	A	713	687	22.00
23	A	604	582	9.68
24	A	590	568	1.94
25	A	406	391	6.12
26	A	346	333	3.84
27	A	156	150	6.86
28	A	146	141	0.01
29	A	119	114	0.28
30	A	64	62	5.18

Atom	x (Å)	y (Å)	z (Å)
O1	1.444	1.134	-0.018
O2	1.447	-1.135	-0.020
H3	-1.349	1.228	1.154
H4	-2.297	1.194	-0.352
H5	-0.759	2.088	-0.290
C6	-1.290	1.205	0.065
H7	-1.384	-1.207	1.156
H8	-0.749	-2.089	-0.258
H9	-2.289	-1.206	-0.377
C10	-1.292	-1.204	0.066
N11	0.741	0.001	0.181
N12	-0.571	-0.002	-0.397

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2690	3.0302	3.7568	2.4158	2.7360	3.8539	3.9054	4.4202	3.6002	1.3484	2.3436
O2	2.2690		3.8437	4.4222	3.9146	3.6013	3.0657	2.4056	3.7534	2.7413	1.3523	2.3443
H3	3.0302	3.8437		1.7800	1.7806	1.0907	2.4344	3.6539	3.0245	2.6642	2.6112	2.1266
H4	3.7568	4.4222	1.7800		1.7801	1.0905	2.9789	3.6314	2.4004	2.6341	3.3076	2.1013
H5	2.4158	3.9146	1.7806	1.7801		1.0897	3.6513	4.1766	3.6326	3.3537	2.6127	2.1010
C6	2.7360	3.6013	1.0907	1.0905	1.0897		2.6481	3.3530	2.6463	2.4086	2.3635	1.4787
H7	3.8539	3.0657	2.4344	2.9789	3.6513	2.6481		1.7833	1.7801	1.0932	2.6310	2.1269
H8	3.9054	2.4056	3.6539	3.6314	4.1766	3.3530	1.7833		1.7792	1.0878	2.6035	2.0990
H9	4.4202	3.7534	3.0245	2.4004	3.6326	2.6463	1.7801	1.7792		1.0907	3.3086	2.0982
C10	3.6002	2.7413	2.6642	2.6341	3.3537	2.4086	1.0932	1.0878	1.0907		2.3662	1.4768
N11	1.3484	1.3523	2.6112	3.3076	2.6127	2.3635	2.6310	2.6035	3.3086	2.3662		1.4332
N12	2.3436	2.3443	2.1266	2.1013	2.1010	1.4787	2.1269	2.0990	2.0982	1.4768	1.4332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	114.318	O1	N11	N12	114.789
O2	N11	N12	114.592	H3	C6	H4	109.383
H3	C6	H5	109.506	H3	C6	N12	110.819
H4	C6	H5	109.469	H4	C6	N12	108.812
H5	C6	N12	108.831	C6	N12	C10	109.170
C6	N12	N11	108.513	H7	C10	H8	109.697
H7	C10	H9	109.188	H7	C10	N12	110.823
H8	C10	H9	109.514	H8	C10	N12	108.917
H9	C10	N12	108.680	C10	N12	N11	108.799

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: HSEh1PBE/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	-0.320
2	O	-0.320
3	H	0.243
4	H	0.232
5	H	0.272
6	C	-0.432
7	H	0.243
8	H	0.272
9	H	0.232
10	C	-0.432
11	N	0.403
12	N	-0.392

	x	y	z	Total
	-4.580	0.000	0.208	4.585
CHELPG
AIM
ESP

	x	y	z
x	7.048	0.000	0.064
y	0.000	7.020	-0.000
z	0.064	-0.000	3.657

<r²>	151.488
(<r²>)^1/2	12.308

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)