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	hartrees
Energy at 0K	-339.470012
Energy at 298.15K	-339.478993
HF Energy	-339.470012
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3143	3081	5.61
2	A	3140	3079	3.34
3	A	3084	3024	42.02
4	A	3080	3019	0.39
5	A	2982	2924	59.59
6	A	2976	2918	28.11
7	A	1610	1579	232.65
8	A	1515	1485	30.99
9	A	1494	1465	1.05
10	A	1493	1463	8.25
11	A	1475	1446	15.44
12	A	1466	1438	22.57
13	A	1424	1397	5.77
14	A	1302	1277	239.78
15	A	1283	1258	1.60
16	A	1247	1223	6.66
17	A	1140	1117	51.72
18	A	1111	1090	2.63
19	A	1037	1017	10.32
20	A	957	938	86.74
21	A	837	820	14.37
22	A	751	736	16.45
23	A	599	587	1.34
24	A	598	586	8.31
25	A	418	409	3.21
26	A	353	346	1.86
27	A	215	211	10.77
28	A	146	143	2.25
29	A	142	139	0.36
30	A	109	107	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	1.367	1.103	0.035
O2	1.367	-1.103	0.035
H3	-1.243	1.483	1.136
H4	-2.284	1.166	-0.291
H5	-0.758	2.076	-0.480
C6	-1.249	1.259	0.056
H7	-1.243	-1.483	1.136
H8	-0.758	-2.076	-0.480
H9	-2.284	-1.166	-0.291
C10	-1.249	-1.259	0.056
N11	0.813	0.000	-0.030
N12	-0.574	0.000	-0.250

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.2052	2.8584	3.6667	2.3932	2.6207	3.8354	3.8576	4.3112	3.5246	1.2357	2.2503
O2	2.2052		3.8354	4.3111	3.8577	3.5246	2.8583	2.3930	3.6666	2.6206	1.2357	2.2503
H3	2.8584	3.8354		1.7949	1.7883	1.1034	2.9658	3.9383	3.1839	2.9476	2.7906	2.1375
H4	3.6667	4.3111	1.7949		1.7872	1.0961	3.1839	3.5880	2.3318	2.6599	3.3199	2.0706
H5	2.3932	3.8577	1.7883	1.7872		1.0927	3.9383	4.1513	3.5880	3.4133	2.6416	2.0964
C6	2.6207	3.5246	1.1034	1.0961	1.0927		2.9475	3.4133	2.6599	2.5189	2.4176	1.4614
H7	3.8354	2.8583	2.9658	3.1839	3.9383	2.9475		1.7883	1.7949	1.1034	2.7905	2.1375
H8	3.8576	2.3930	3.9383	3.5880	4.1513	3.4133	1.7883		1.7872	1.0927	2.6415	2.0964
H9	4.3112	3.6666	3.1839	2.3318	3.5880	2.6599	1.7949	1.7872		1.0961	3.3198	2.0706
C10	3.5246	2.6206	2.9476	2.6599	3.4133	2.5189	1.1034	1.0927	1.0961		2.4176	1.4614
N11	1.2357	1.2357	2.7906	3.3199	2.6416	2.4176	2.7905	2.6415	3.3198	2.4176		1.4041
N12	2.2503	2.2503	2.1375	2.0706	2.0964	1.4614	2.1375	2.0964	2.0706	1.4614	1.4041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.038	O1	N11	N12	116.747
O2	N11	N12	116.742	H3	C6	H4	109.386
H3	C6	H5	108.936	H3	C6	N12	112.074
H4	C6	H5	109.389	H4	C6	N12	107.430
H5	C6	N12	109.589	C6	N12	C10	119.260
C6	N12	N11	115.420	H7	C10	H8	108.936
H7	C10	H9	109.386	H7	C10	N12	112.074
H8	C10	H9	109.389	H8	C10	N12	109.588
H9	C10	N12	107.430	C10	N12	N11	115.416

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B97D3/6-31G*

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	-0.405
2	O	-0.405
3	H	0.171
4	H	0.170
5	H	0.209
6	C	-0.323
7	H	0.171
8	H	0.209
9	H	0.170
10	C	-0.323
11	N	0.610
12	N	-0.254

	x	y	z	Total
	-4.285	0.000	0.205	4.290
CHELPG
AIM
ESP

	x	y	z
x	7.972	0.000	0.060
y	0.000	7.630	0.000
z	0.060	0.000	4.491

<r²>	150.287
(<r²>)^1/2	12.259

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)