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	hartrees
Energy at 0K	-337.815893
Energy at 298.15K	-337.824692
Nuclear repulsion energy	257.999024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3123	3059	4.66
2	A	3123	3059	1.65
3	A	3048	2986	0.00
4	A	3043	2981	34.71
5	A	2977	2917	52.23
6	A	2973	2912	13.05
7	A	1527	1496	142.58
8	A	1499	1469	28.26
9	A	1481	1451	49.26
10	A	1470	1440	0.04
11	A	1468	1438	21.41
12	A	1421	1392	29.10
13	A	1404	1376	89.44
14	A	1336	1309	17.16
15	A	1322	1295	52.27
16	A	1240	1215	256.48
17	A	1149	1126	0.02
18	A	1104	1082	0.00
19	A	1050	1028	0.08
20	A	990	970	92.59
21	A	833	816	8.06
22	A	716	702	7.52
23	A	615	602	0.07
24	A	611	599	10.79
25	A	401	393	6.30
26	A	382	374	4.62
27	A	179	176	5.66
28	A	151	148	0.00
29	A	98	96	0.00
30	A	50	49	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	1.387	1.120	0.000
O2	1.387	-1.120	-0.000
H3	-1.900	1.349	0.901
H4	-1.905	1.346	-0.897
H5	-0.511	2.054	-0.003
C6	-1.266	1.254	0.000
H7	-1.903	-1.347	0.899
H8	-0.511	-2.054	0.001
H9	-1.903	-1.348	-0.899
C10	-1.266	-1.253	0.000
N11	0.807	-0.000	-0.000
N12	-0.574	-0.000	-0.001

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2402	3.4158	3.4198	2.1149	2.6558	4.2094	3.6983	4.2099	3.5596	1.2614	2.2578
O2	2.2402		4.2089	4.2105	3.6982	3.5596	3.4183	2.1154	3.4181	2.6562	1.2614	2.2579
H3	3.4158	4.2089		1.7976	1.8011	1.1058	2.6965	3.7845	3.2425	2.8263	3.1559	2.0960
H4	3.4198	4.2105	1.7976		1.8014	1.1058	3.2376	3.7834	2.6947	2.8238	3.1581	2.0954
H5	2.1149	3.6982	1.8011	1.8014		1.1003	3.7843	4.1081	3.7836	3.3926	2.4403	2.0550
C6	2.6558	3.5596	1.1058	1.1058	1.1003		2.8247	3.3926	2.8254	2.5071	2.4220	1.4320
H7	4.2094	3.4183	2.6965	3.2376	3.7843	2.8247		1.8012	1.7976	1.1058	3.1570	2.0958
H8	3.6983	2.1154	3.7845	3.7834	4.1081	3.3926	1.8012		1.8013	1.1003	2.4404	2.0550
H9	4.2099	3.4181	3.2425	2.6947	3.7836	2.8254	1.7976	1.8013		1.1058	3.1571	2.0956
C10	3.5596	2.6562	2.8263	2.8238	3.3926	2.5071	1.1058	1.1003	1.1058		2.4221	1.4320
N11	1.2614	1.2614	3.1559	3.1581	2.4403	2.4220	3.1570	2.4404	3.1571	2.4221		1.3803
N12	2.2578	2.2579	2.0960	2.0954	2.0550	1.4320	2.0958	2.0550	2.0956	1.4320	1.3803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.238	O1	N11	N12	117.376
O2	N11	N12	117.386	H3	C6	H4	108.744
H3	C6	H5	109.454	H3	C6	N12	110.707
H4	C6	H5	109.484	H4	C6	N12	110.660
H5	C6	N12	107.773	C6	N12	C10	122.184
C6	N12	N11	118.905	H7	C10	H8	109.465
H7	C10	H9	108.744	H7	C10	N12	110.691
H8	C10	H9	109.473	H8	C10	N12	107.775
H9	C10	N12	110.674	C10	N12	N11	118.912

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: LSDA/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	-0.276
2	O	-0.276
3	H	0.198
4	H	0.198
5	H	0.241
6	C	-0.365
7	H	0.198
8	H	0.241
9	H	0.198
10	C	-0.365
11	N	0.237
12	N	-0.227

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)