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	hartrees
Energy at 0K	-339.443954
Energy at 298.15K	-339.452833
Nuclear repulsion energy	258.448486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3053	12.29
2	A	3215	3043	1.38
3	A	3172	3002	22.28
4	A	3169	3000	0.00
5	A	3096	2930	12.39
6	A	3090	2925	21.16
7	A	1566	1482	49.35
8	A	1564	1480	64.08
9	A	1530	1448	28.35
10	A	1527	1445	23.70
11	A	1524	1442	116.81
12	A	1515	1434	0.00
13	A	1490	1410	41.04
14	A	1364	1291	0.84
15	A	1332	1261	260.65
16	A	1282	1213	78.22
17	A	1181	1118	0.02
18	A	1168	1106	0.00
19	A	1091	1033	21.05
20	A	1045	989	3.68
21	A	839	794	2.25
22	A	746	706	19.45
23	A	632	598	10.60
24	A	629	596	2.84
25	A	416	394	5.11
26	A	322	305	3.33
27	A	194	183	5.46
28	A	166	157	0.00
29	A	97	92	0.00
30	A	54	51	1.15

Atom	x (Å)	y (Å)	z (Å)
O1	1.362	1.122	-0.000
O2	1.362	-1.122	0.000
H3	-0.959	1.872	0.884
H4	-2.309	1.115	0.001
H5	-0.960	1.872	-0.885
C6	-1.235	1.293	0.000
H7	-0.960	-1.871	0.885
H8	-0.959	-1.872	-0.884
H9	-2.309	-1.115	-0.001
C10	-1.235	-1.293	-0.000
N11	0.784	-0.000	-0.000
N12	-0.572	0.000	-0.000

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2432	2.5945	3.6706	2.5959	2.6030	3.8903	3.8898	4.2984	3.5463	1.2616	2.2359
O2	2.2432		3.8896	4.2984	3.8904	3.5463	2.5958	2.5945	3.6706	2.6030	1.2616	2.2358
H3	2.5945	3.8896		1.7817	1.7689	1.0923	3.7432	4.1405	3.3952	3.2976	2.7064	2.1060
H4	3.6706	4.2984	1.7817		1.7817	1.0879	3.3938	3.3954	2.2303	2.6364	3.2879	2.0637
H5	2.5959	3.8904	1.7689	1.7817		1.0923	4.1401	3.7436	3.3939	3.2973	2.7074	2.1061
C6	2.6030	3.5463	1.0923	1.0879	1.0923		3.2971	3.2978	2.6365	2.5859	2.3981	1.4531
H7	3.8903	2.5958	3.7432	3.3938	4.1401	3.2971		1.7689	1.7817	1.0923	2.7073	2.1061
H8	3.8898	2.5945	4.1405	3.3954	3.7436	3.2978	1.7689		1.7816	1.0923	2.7065	2.1061
H9	4.2984	3.6706	3.3952	2.2303	3.3939	2.6365	1.7817	1.7816		1.0879	3.2879	2.0637
C10	3.5463	2.6030	3.2976	2.6364	3.2973	2.5859	1.0923	1.0923	1.0879		2.3981	1.4531
N11	1.2616	1.2616	2.7064	3.2879	2.7074	2.3981	2.7073	2.7065	3.2879	2.3981		1.3566
N12	2.2359	2.2358	2.1060	2.0637	2.1061	1.4531	2.1061	2.1061	2.0637	1.4531	1.3566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.507	O1	N11	N12	117.247
O2	N11	N12	117.246	H3	C6	H4	109.607
H3	C6	H5	108.133	H3	C6	N12	110.867
H4	C6	H5	109.607	H4	C6	N12	107.745
H5	C6	N12	110.874	C6	N12	C10	125.694
C6	N12	N11	117.153	H7	C10	H8	108.132
H7	C10	H9	109.607	H7	C10	N12	110.873
H8	C10	H9	109.606	H8	C10	N12	110.868
H9	C10	N12	107.746	C10	N12	N11	117.153

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-31G

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	-0.332
2	O	-0.332
3	H	0.219
4	H	0.181
5	H	0.219
6	C	-0.285
7	H	0.219
8	H	0.219
9	H	0.181
10	C	-0.285
11	N	0.339
12	N	-0.341

<r²>	151.283
(<r²>)^1/2	12.300

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)