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	hartrees
Energy at 0K	-339.315219
Energy at 298.15K	-339.324028
Nuclear repulsion energy	258.430602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3117	3099	1.05
2	A	3115	3097	0.41
3	A	3053	3035	29.88
4	A	3051	3033	0.27
5	A	2941	2924	58.88
6	A	2935	2918	25.20
7	A	1612	1602	236.04
8	A	1438	1430	35.89
9	A	1422	1414	14.41
10	A	1418	1410	0.17
11	A	1394	1386	13.55
12	A	1386	1378	63.33
13	A	1348	1340	12.24
14	A	1288	1280	0.90
15	A	1286	1278	209.39
16	A	1219	1212	7.62
17	A	1092	1086	38.81
18	A	1065	1059	1.85
19	A	1009	1003	6.10
20	A	950	945	82.67
21	A	839	835	20.76
22	A	748	744	13.76
23	A	596	593	1.52
24	A	596	592	7.34
25	A	399	397	3.22
26	A	354	352	2.16
27	A	198	196	9.95
28	A	134	133	0.15
29	A	109	108	1.34
30	A	77	77	0.06

Atom	x (Å)	y (Å)	z (Å)
O1	-1.369	-1.104	0.033
O2	-1.369	1.104	0.033
H3	1.319	-1.465	1.145
H4	2.272	-1.195	-0.368
H5	0.703	-2.083	-0.431
C6	1.251	-1.257	0.052
H7	1.319	1.465	1.145
H8	0.703	2.083	-0.431
H9	2.272	1.195	-0.368
C10	1.251	1.257	0.052
N11	-0.818	-0.000	-0.028
N12	0.576	-0.000	-0.237

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2072	2.9311	3.6643	2.3384	2.6243	3.8803	3.8291	4.3246	3.5261	1.2352	2.2527
O2	2.2072		3.8803	4.3245	3.8292	3.5261	2.9311	2.3381	3.6641	2.6241	1.2352	2.2527
H3	2.9311	3.8803		1.8086	1.8015	1.1147	2.9292	3.9304	3.2050	2.9333	2.8435	2.1466
H4	3.6643	4.3245	1.8086		1.8040	1.1062	3.2049	3.6347	2.3900	2.6889	3.3301	2.0787
H5	2.3384	3.8292	1.8015	1.8040		1.1028	3.9304	4.1660	3.6347	3.4185	2.6103	2.0958
C6	2.6243	3.5261	1.1147	1.1062	1.1028		2.9333	3.4186	2.6890	2.5133	2.4214	1.4553
H7	3.8803	2.9311	2.9292	3.2049	3.9304	2.9333		1.8015	1.8086	1.1147	2.8435	2.1466
H8	3.8291	2.3381	3.9304	3.6347	4.1660	3.4186	1.8015		1.8040	1.1028	2.6102	2.0958
H9	4.3246	3.6641	3.2050	2.3900	3.6347	2.6890	1.8086	1.8040		1.1062	3.3301	2.0787
C10	3.5261	2.6241	2.9333	2.6889	3.4185	2.5133	1.1147	1.1028	1.1062		2.4214	1.4553
N11	1.2352	1.2352	2.8435	3.3301	2.6103	2.4214	2.8435	2.6102	3.3301	2.4214		1.4094
N12	2.2527	2.2527	2.1466	2.0787	2.0958	1.4553	2.1466	2.0958	2.0787	1.4553	1.4094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.625	O1	N11	N12	116.668
O2	N11	N12	116.663	H3	C6	H4	109.047
H3	C6	H5	108.668	H3	C6	N12	112.611
H4	C6	H5	109.511	H4	C6	N12	107.714
H5	C6	N12	109.253	C6	N12	C10	119.423
C6	N12	N11	115.392	H7	C10	H8	108.669
H7	C10	H9	109.047	H7	C10	N12	112.611
H8	C10	H9	109.511	H8	C10	N12	109.252
H9	C10	N12	107.715	C10	N12	N11	115.388

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.247
2	O	-0.247
3	H	0.047
4	H	0.046
5	H	0.071
6	C	0.040
7	H	0.047
8	H	0.071
9	H	0.046
10	C	0.040
11	N	0.289
12	N	-0.204

	x	y	z	Total
	4.032	0.000	0.111	4.033
CHELPG
AIM
ESP

	x	y	z
x	8.200	0.000	-0.011
y	0.000	8.030	0.000
z	-0.011	0.000	4.624

<r²>	150.829
(<r²>)^1/2	12.281

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)