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	hartrees
Energy at 0K	-339.318586
Energy at 298.15K	-339.327735
HF Energy	-338.992004
Nuclear repulsion energy	259.830708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3232	3068	3.99
2	A	3229	3065	1.71
3	A	3181	3019	30.77
4	A	3175	3014	0.07
5	A	3081	2925	42.42
6	A	3076	2920	19.65
7	A	1652	1568	226.82
8	A	1562	1483	37.85
9	A	1543	1465	1.21
10	A	1541	1463	9.70
11	A	1526	1448	12.34
12	A	1515	1438	23.75
13	A	1474	1399	5.51
14	A	1353	1284	265.90
15	A	1333	1265	2.90
16	A	1292	1226	2.31
17	A	1180	1120	61.73
18	A	1151	1092	3.05
19	A	1074	1020	12.84
20	A	1013	961	61.25
21	A	856	812	13.38
22	A	774	734	19.10
23	A	624	593	1.52
24	A	614	582	8.34
25	A	427	405	3.96
26	A	363	345	1.92
27	A	228	216	11.31
28	A	157	149	0.49
29	A	149	141	3.12
30	A	119	113	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	1.429	1.105	-0.033
O2	1.430	-1.109	-0.034
H3	-1.360	1.199	1.142
H4	-2.273	1.181	-0.383
H5	-0.746	2.084	-0.272
C6	-1.276	1.191	0.058
H7	-1.400	-1.174	1.144
H8	-0.745	-2.083	-0.240
H9	-2.268	-1.186	-0.409
C10	-1.284	-1.187	0.059
N11	0.728	0.000	0.228
N12	-0.545	-0.002	-0.391

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2147	3.0284	3.7194	2.3972	2.7085	3.8193	3.8654	4.3659	3.5532	1.3348	2.2920
O2	2.2147		3.8074	4.3676	3.8712	3.5528	3.0661	2.3923	3.7176	2.7161	1.3388	2.2924
H3	3.0284	3.8074		1.7779	1.7777	1.0877	2.3734	3.6145	2.9863	2.6221	2.5756	2.1111
H4	3.7194	4.3676	1.7779		1.7771	1.0898	2.9389	3.6070	2.3667	2.6045	3.2820	2.0935
H5	2.3972	3.8712	1.7777	1.7771		1.0896	3.6117	4.1674	3.6089	3.3315	2.6007	2.0985
C6	2.7085	3.5528	1.0877	1.0898	1.0896		2.6050	3.3305	2.6172	2.3783	2.3374	1.4691
H7	3.8193	3.0661	2.3734	2.9389	3.6117	2.6050		1.7806	1.7785	1.0909	2.5974	2.1116
H8	3.8654	2.3923	3.6145	3.6070	4.1674	3.3305	1.7806		1.7758	1.0872	2.5945	2.0967
H9	4.3659	3.7176	2.9863	2.3667	3.6089	2.6172	1.7785	1.7758		1.0901	3.2844	2.0903
C10	3.5532	2.7161	2.6221	2.6045	3.3315	2.3783	1.0909	1.0872	1.0901		2.3420	1.4673
N11	1.3348	1.3388	2.5756	3.2820	2.6007	2.3374	2.5974	2.5945	3.2844	2.3420		1.4156
N12	2.2920	2.2924	2.1111	2.0935	2.0985	1.4691	2.1116	2.0967	2.0903	1.4673	1.4156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	111.866	O1	N11	N12	112.853
O2	N11	N12	112.638	H3	C6	H4	109.467
H3	C6	H5	109.469	H3	C6	N12	110.428
H4	C6	H5	109.255	H4	C6	N12	108.894
H5	C6	N12	109.308	C6	N12	C10	108.188
C6	N12	N11	108.231	H7	C10	H8	109.672
H7	C10	H9	109.264	H7	C10	N12	110.404
H8	C10	H9	109.293	H8	C10	N12	109.434
H9	C10	N12	108.752	C10	N12	N11	108.642

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B2PLYP/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	-0.448
2	O	-0.448
3	H	0.178
4	H	0.176
5	H	0.217
6	C	-0.304
7	H	0.178
8	H	0.217
9	H	0.176
10	C	-0.304
11	N	0.690
12	N	-0.328

	x	y	z
x	7.600	0.000	0.098
y	0.000	7.434	0.000
z	0.098	0.000	4.371

<r²>	149.218
(<r²>)^1/2	12.215

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)