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	hartrees
Energy at 0K	-339.680652
Energy at 298.15K	-339.689828
HF Energy	-339.680652
Nuclear repulsion energy	262.175474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3046	6.86
2	A	3178	3040	3.09
3	A	3146	3009	25.37
4	A	3142	3005	0.19
5	A	3057	2924	32.94
6	A	3052	2920	23.59
7	A	1641	1570	389.44
8	A	1531	1464	85.00
9	A	1505	1440	11.71
10	A	1504	1439	1.84
11	A	1497	1432	20.10
12	A	1487	1423	6.41
13	A	1457	1394	6.32
14	A	1375	1315	334.92
15	A	1358	1299	0.11
16	A	1296	1239	11.44
17	A	1156	1106	42.25
18	A	1134	1085	0.72
19	A	1080	1033	15.78
20	A	1054	1008	51.44
21	A	882	844	8.01
22	A	812	777	14.65
23	A	646	618	1.09
24	A	633	606	11.70
25	A	428	410	2.97
26	A	349	334	1.56
27	A	219	210	3.87
28	A	167	160	0.25
29	A	132	126	0.06
30	A	100	96	6.51

Atom	x (Å)	y (Å)	z (Å)
O1	1.339	1.079	0.066
O2	1.339	-1.079	0.066
H3	-1.127	1.496	1.126
H4	-2.274	1.137	-0.187
H5	-0.799	2.059	-0.523
C6	-1.223	1.252	0.065
H7	-1.127	-1.496	1.126
H8	-0.798	-2.059	-0.523
H9	-2.274	-1.137	-0.187
C10	-1.223	-1.253	0.065
N11	0.800	0.000	-0.116
N12	-0.565	0.000	-0.263

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1572	2.7164	3.6224	2.4246	2.5681	3.7190	3.8420	4.2459	3.4639	1.2198	2.2132
O2	2.1572		3.7190	4.2458	3.8421	3.4639	2.7163	2.4244	3.6222	2.5679	1.2197	2.2131
H3	2.7164	3.7190		1.7799	1.7727	1.0929	2.9913	3.9319	3.1577	2.9475	2.7369	2.1170
H4	3.6224	4.2458	1.7799		1.7715	1.0867	3.1577	3.5361	2.2744	2.6227	3.2777	2.0539
H5	2.4246	3.8421	1.7727	1.7715		1.0841	3.9319	4.1179	3.5361	3.3898	2.6380	2.0883
C6	2.5681	3.4639	1.0929	1.0867	1.0841		2.9475	3.3898	2.6227	2.5050	2.3858	1.4522
H7	3.7190	2.7163	2.9913	3.1577	3.9319	2.9475		1.7727	1.7799	1.0929	2.7368	2.1170
H8	3.8420	2.4244	3.9319	3.5361	4.1179	3.3898	1.7727		1.7715	1.0841	2.6379	2.0883
H9	4.2459	3.6222	3.1577	2.2744	3.5361	2.6227	1.7799	1.7715		1.0867	3.2777	2.0539
C10	3.4639	2.5679	2.9475	2.6227	3.3898	2.5050	1.0929	1.0841	1.0867		2.3857	1.4522
N11	1.2198	1.2197	2.7369	3.2777	2.6380	2.3858	2.7368	2.6379	3.2777	2.3857		1.3725
N12	2.2132	2.2131	2.1170	2.0539	2.0883	1.4522	2.1170	2.0883	2.0539	1.4522	1.3725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	124.323	O1	N11	N12	117.124
O2	N11	N12	117.120	H3	C6	H4	109.489
H3	C6	H5	109.034	H3	C6	N12	111.789
H4	C6	H5	109.380	H4	C6	N12	107.109
H5	C6	N12	110.002	C6	N12	C10	119.193
C6	N12	N11	115.229	H7	C10	H8	109.034
H7	C10	H9	109.489	H7	C10	N12	111.789
H8	C10	H9	109.380	H8	C10	N12	110.001
H9	C10	N12	107.109	C10	N12	N11	115.225

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: wB97X-D/aug-cc-pVTZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	O	-0.779
2	O	-0.779
3	H	0.304
4	H	0.312
5	H	0.324
6	C	-0.759
7	H	0.304
8	H	0.324
9	H	0.312
10	C	-0.759
11	N	1.342
12	N	-0.146

	x	y	z	Total
	-4.741	0.000	0.120	4.742
CHELPG
AIM
ESP

	x	y	z
x	9.108	0.000	0.057
y	0.000	8.896	0.000
z	0.057	0.000	5.845

<r²>	147.777
(<r²>)^1/2	12.156

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)