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	hartrees
Energy at 0K	-66.459435
Energy at 298.15K	-66.468950
Nuclear repulsion energy	141.815316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3143	3063	24.48
2	A	3131	3051	4.77
3	A	3098	3019	45.51
4	A	3095	3016	0.02
5	A	3015	2939	20.30
6	A	3009	2932	32.04
7	A	1533	1494	41.18
8	A	1525	1486	17.58
9	A	1496	1458	17.42
10	A	1491	1453	21.63
11	A	1482	1444	0.33
12	A	1468	1431	18.61
13	A	1440	1403	184.91
14	A	1300	1267	4.60
15	A	1291	1258	221.65
16	A	1228	1196	114.20
17	A	1154	1125	2.82
18	A	1141	1112	0.03
19	A	1061	1033	20.41
20	A	1002	977	2.64
21	A	782	762	1.06
22	A	673	656	10.66
23	A	587	572	13.20
24	A	580	566	2.97
25	A	392	382	4.51
26	A	304	297	2.67
27	A	175	170	3.34
28	A	154	150	0.00
29	A	91	89	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	1.421	1.152	0.003
O2	1.421	-1.152	0.004
H3	-0.992	1.862	0.924
H4	-2.313	1.135	-0.044
H5	-0.924	1.927	-0.849
C6	-1.236	1.317	0.005
H7	-0.997	-1.861	0.925
H8	-0.921	-1.928	-0.847
H9	-2.313	-1.135	-0.049
C10	-1.237	-1.316	0.004
N11	0.823	-0.000	-0.004
N12	-0.562	0.000	-0.023

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.3041	2.6788	3.7341	2.6121	2.6625	3.9712	3.9612	4.3788	3.6273	1.2982	2.2938
O2	2.3041		3.9695	4.3790	3.9628	3.6273	2.6824	2.6095	3.7344	2.6630	1.2982	2.2939
H3	2.6788	3.9695		1.7913	1.7755	1.0964	3.7229	4.1841	3.4165	3.3181	2.7609	2.1329
H4	3.7341	4.3790	1.7913		1.7904	1.0927	3.4128	3.4592	2.2699	2.6778	3.3349	2.0863
H5	2.6121	3.9628	1.7755	1.7904		1.0951	4.1832	3.8546	3.4561	3.3683	2.7343	2.1273
C6	2.6625	3.6273	1.0964	1.0927	1.0951		3.3168	3.3694	2.6780	2.6332	2.4441	1.4794
H7	3.9712	2.6824	3.7229	3.4128	4.1832	3.3168		1.7755	1.7914	1.0964	2.7630	2.1331
H8	3.9612	2.6095	4.1841	3.4592	3.8546	3.3694	1.7755		1.7904	1.0950	2.7325	2.1271
H9	4.3788	3.7344	3.4165	2.2699	3.4561	2.6780	1.7914	1.7904		1.0927	3.3349	2.0864
C10	3.6273	2.6630	3.3181	2.6778	3.3683	2.6332	1.0964	1.0950	1.0927		2.4443	1.4795
N11	1.2982	1.2982	2.7609	3.3349	2.7343	2.4441	2.7630	2.7325	3.3349	2.4443		1.3852
N12	2.2938	2.2939	2.1329	2.0863	2.1273	1.4794	2.1331	2.1271	2.0864	1.4795	1.3852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.105	O1	N11	N12	117.441
O2	N11	N12	117.454	H3	C6	H4	109.832
H3	C6	H5	108.230	H3	C6	N12	110.920
H4	C6	H5	109.846	H4	C6	N12	107.463
H5	C6	N12	110.549	C6	N12	C10	125.727
C6	N12	N11	117.088	H7	C10	H8	108.233
H7	C10	H9	109.832	H7	C10	N12	110.930
H8	C10	H9	109.846	H8	C10	N12	110.536
H9	C10	N12	107.464	C10	N12	N11	117.098

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3LYP/CEP-121G

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	-0.174
2	O	-0.174
3	H	0.198
4	H	0.154
5	H	0.202
6	C	-0.406
7	H	0.198
8	H	0.202
9	H	0.154
10	C	-0.406
11	N	0.016
12	N	0.036

	x	y	z	Total
	-5.740	0.000	0.015	5.740
CHELPG
AIM
ESP

	x	y	z
x	8.539	0.023	-0.007
y	0.023	8.476	-0.000
z	-0.007	-0.000	4.633

<r²>	128.682
(<r²>)^1/2	11.344

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)