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	hartrees
Energy at 0K	-338.763414
Energy at 298.15K	-338.772756
HF Energy	-337.715953
Nuclear repulsion energy	261.450211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3061	2.95
2	A	3283	3059	2.37
3	A	3237	3016	30.23
4	A	3232	3011	0.31
5	A	3129	2915	44.22
6	A	3125	2912	18.93
7	A	1734	1615	451.97
8	A	1574	1466	66.79
9	A	1557	1450	26.57
10	A	1554	1448	1.64
11	A	1537	1432	8.83
12	A	1537	1431	28.32
13	A	1496	1394	5.33
14	A	1432	1334	311.38
15	A	1360	1267	0.72
16	A	1329	1238	3.88
17	A	1194	1112	69.46
18	A	1163	1083	3.70
19	A	1093	1018	12.35
20	A	1065	992	72.64
21	A	891	830	14.01
22	A	807	752	17.26
23	A	647	603	2.00
24	A	630	587	11.36
25	A	436	406	3.72
26	A	370	345	1.51
27	A	249	232	14.81
28	A	174	162	4.55
29	A	170	158	0.32
30	A	115	107	0.13

Atom	x (Å)	y (Å)	z (Å)
O1	-1.349	-1.091	0.031
O2	-1.350	1.091	0.031
H3	1.161	-1.543	1.100
H4	2.276	-1.122	-0.219
H5	0.807	-2.047	-0.560
C6	1.234	-1.261	0.049
H7	1.160	1.544	1.100
H8	0.806	2.047	-0.560
H9	2.275	1.123	-0.219
C10	1.233	1.261	0.049
N11	-0.797	-0.000	-0.025
N12	0.555	0.000	-0.221

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1819	2.7657	3.6336	2.4316	2.5890	3.7926	3.8526	4.2543	3.4933	1.2241	2.2090
O2	2.1819		3.7927	4.2543	3.8529	3.4934	2.7654	2.4310	3.6333	2.5886	1.2241	2.2089
H3	2.7657	3.7927		1.7780	1.7710	1.0909	3.0871	3.9717	3.1766	2.9957	2.7348	2.1205
H4	3.6336	4.2543	1.7780		1.7688	1.0845	3.1765	3.5096	2.2445	2.6144	3.2767	2.0543
H5	2.4316	3.8529	1.7710	1.7688		1.0827	3.9717	4.0938	3.5095	3.3903	2.6550	2.0900
C6	2.5890	3.4934	1.0909	1.0845	1.0827		2.9956	3.3903	2.6144	2.5214	2.3914	1.4573
H7	3.7926	2.7654	3.0871	3.1765	3.9717	2.9956		1.7710	1.7780	1.0909	2.7347	2.1205
H8	3.8526	2.4310	3.9717	3.5096	4.0938	3.3903	1.7710		1.7688	1.0827	2.6547	2.0900
H9	4.2543	3.6333	3.1766	2.2445	3.5095	2.6144	1.7780	1.7688		1.0845	3.2765	2.0542
C10	3.4933	2.5886	2.9957	2.6144	3.3903	2.5214	1.0909	1.0827	1.0845		2.3912	1.4573
N11	1.2241	1.2241	2.7348	3.2767	2.6550	2.3914	2.7347	2.6547	3.2765	2.3912		1.3659
N12	2.2090	2.2089	2.1205	2.0543	2.0900	1.4573	2.1205	2.0900	2.0542	1.4573	1.3659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.055	O1	N11	N12	116.945
O2	N11	N12	116.940	H3	C6	H4	109.639
H3	C6	H5	109.129	H3	C6	N12	111.839
H4	C6	H5	109.408	H4	C6	N12	106.925
H5	C6	N12	109.859	C6	N12	C10	119.785
C6	N12	N11	115.745	H7	C10	H8	109.130
H7	C10	H9	109.640	H7	C10	N12	111.840
H8	C10	H9	109.409	H8	C10	N12	109.857
H9	C10	N12	106.922	C10	N12	N11	115.734

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: MP3=FULL/6-31+G**

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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All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)