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	hartrees
Energy at 0K	-339.557505
Energy at 298.15K	-339.566555
Nuclear repulsion energy	262.324026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3058	4.06
2	A	3190	3055	1.66
3	A	3146	3013	25.76
4	A	3142	3009	0.03
5	A	3047	2918	34.52
6	A	3042	2913	23.61
7	A	1696	1624	291.44
8	A	1512	1448	63.11
9	A	1496	1433	47.82
10	A	1494	1431	0.13
11	A	1467	1405	9.06
12	A	1467	1405	58.25
13	A	1422	1362	4.74
14	A	1378	1319	213.44
15	A	1352	1295	2.30
16	A	1281	1226	9.96
17	A	1150	1101	39.66
18	A	1125	1078	1.84
19	A	1055	1011	13.15
20	A	1030	987	49.23
21	A	879	842	8.83
22	A	808	774	16.05
23	A	635	608	1.70
24	A	628	602	8.99
25	A	413	395	3.70
26	A	358	343	2.12
27	A	187	179	5.68
28	A	140	134	0.27
29	A	125	119	0.15
30	A	117	112	3.36

Atom	x (Å)	y (Å)	z (Å)
O1	1.341	1.087	0.030
O2	1.341	-1.087	0.030
H3	-1.168	1.561	1.098
H4	-2.268	1.144	-0.242
H5	-0.765	2.038	-0.561
C6	-1.224	1.261	0.045
H7	-1.168	-1.561	1.098
H8	-0.765	-2.038	-0.561
H9	-2.268	-1.144	-0.242
C10	-1.224	-1.261	0.045
N11	0.795	0.000	-0.028
N12	-0.562	0.000	-0.201

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1743	2.7683	3.6197	2.3859	2.5709	3.8016	3.8152	4.2520	3.4774	1.2180	2.2042
O2	2.1743		3.8016	4.2520	3.8153	3.4774	2.7683	2.3858	3.6197	2.5709	1.2180	2.2042
H3	2.7683	3.8016		1.7827	1.7727	1.0957	3.1223	3.9839	3.2132	3.0123	2.7495	2.1193
H4	3.6197	4.2520	1.7827		1.7771	1.0892	3.2131	3.5340	2.2889	2.6379	3.2767	2.0544
H5	2.3859	3.8153	1.7727	1.7771		1.0875	3.9839	4.0767	3.5340	3.3857	2.6219	2.0799
C6	2.5709	3.4774	1.0957	1.0892	1.0875		3.0123	3.3857	2.6379	2.5217	2.3813	1.4450
H7	3.8016	2.7683	3.1223	3.2131	3.9839	3.0123		1.7727	1.7827	1.0957	2.7495	2.1193
H8	3.8152	2.3858	3.9839	3.5340	4.0767	3.3857	1.7727		1.7771	1.0875	2.6219	2.0799
H9	4.2520	3.6197	3.2132	2.2889	3.5340	2.6379	1.7827	1.7771		1.0892	3.2767	2.0544
C10	3.4774	2.5709	3.0123	2.6379	3.3857	2.5217	1.0957	1.0875	1.0892		2.3813	1.4450
N11	1.2180	1.2180	2.7495	3.2767	2.6219	2.3813	2.7495	2.6219	3.2767	2.3813		1.3683
N12	2.2042	2.2042	2.1193	2.0544	2.0799	1.4450	2.1193	2.0799	2.0544	1.4450	1.3683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.396	O1	N11	N12	116.796
O2	N11	N12	116.795	H3	C6	H4	109.347
H3	C6	H5	108.574	H3	C6	N12	112.325
H4	C6	H5	109.453	H4	C6	N12	107.489
H5	C6	N12	109.621	C6	N12	C10	121.513
C6	N12	N11	115.627	H7	C10	H8	108.574
H7	C10	H9	109.347	H7	C10	N12	112.325
H8	C10	H9	109.453	H8	C10	N12	109.620
H9	C10	N12	107.489	C10	N12	N11	115.627

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.424
2	O	-0.424
3	H	0.150
4	H	0.147
5	H	0.180
6	C	-0.330
7	H	0.150
8	H	0.180
9	H	0.147
10	C	-0.330
11	N	0.644
12	N	-0.088

	x	y	z	Total
	-4.296	0.000	0.106	4.298
CHELPG
AIM
ESP

<r²>	146.874
(<r²>)^1/2	12.119

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)