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	hartrees
Energy at 0K	-339.601653
Energy at 298.15K	-339.610685
Nuclear repulsion energy	262.231997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3058	3.09
2	A	3200	3055	1.24
3	A	3153	3010	26.08
4	A	3149	3007	0.03
5	A	3054	2916	37.09
6	A	3049	2910	23.11
7	A	1706	1629	298.11
8	A	1522	1453	82.60
9	A	1507	1438	30.75
10	A	1500	1432	0.00
11	A	1477	1410	54.62
12	A	1476	1409	9.60
13	A	1432	1367	6.73
14	A	1390	1327	227.74
15	A	1356	1294	1.76
16	A	1296	1238	6.48
17	A	1159	1107	38.28
18	A	1131	1080	1.87
19	A	1064	1015	12.46
20	A	1040	993	56.77
21	A	885	845	9.00
22	A	815	778	16.14
23	A	645	616	1.66
24	A	632	603	9.16
25	A	422	403	3.94
26	A	362	346	2.17
27	A	188	179	6.76
28	A	135	129	0.12
29	A	110	105	2.47
30	A	105	100	0.20

Atom	x (Å)	y (Å)	z (Å)
O1	-1.346	-1.085	0.030
O2	-1.345	1.085	0.030
H3	1.213	-1.537	1.105
H4	2.263	-1.149	-0.282
H5	0.750	-2.047	-0.530
C6	1.229	-1.257	0.045
H7	1.212	1.537	1.105
H8	0.750	2.047	-0.530
H9	2.263	1.149	-0.282
C10	1.229	1.257	0.045
N11	-0.797	-0.000	-0.027
N12	0.559	-0.000	-0.202

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1700	2.8115	3.6223	2.3728	2.5800	3.8176	3.8097	4.2551	3.4805	1.2169	2.2044
O2	2.1700		3.8176	4.2551	3.8097	3.4805	2.8115	2.3726	3.6222	2.5799	1.2169	2.2044
H3	2.8115	3.8176		1.7825	1.7743	1.0965	3.0735	3.9662	3.1998	2.9886	2.7722	2.1209
H4	3.6223	4.2551	1.7825		1.7767	1.0900	3.1997	3.5443	2.2974	2.6393	3.2786	2.0561
H5	2.3728	3.8097	1.7743	1.7767		1.0877	3.9662	4.0939	3.5443	3.3880	2.6148	2.0818
C6	2.5800	3.4805	1.0965	1.0900	1.0877		2.9886	3.3881	2.6393	2.5149	2.3857	1.4458
H7	3.8176	2.8115	3.0735	3.1997	3.9662	2.9886		1.7743	1.7825	1.0965	2.7722	2.1209
H8	3.8097	2.3726	3.9662	3.5443	4.0939	3.3881	1.7743		1.7767	1.0877	2.6148	2.0818
H9	4.2551	3.6222	3.1998	2.2974	3.5443	2.6393	1.7825	1.7767		1.0900	3.2785	2.0561
C10	3.4805	2.5799	2.9886	2.6393	3.3880	2.5149	1.0965	1.0877	1.0900		2.3857	1.4458
N11	1.2169	1.2169	2.7722	3.2786	2.6148	2.3857	2.7722	2.6148	3.2785	2.3857		1.3680
N12	2.2044	2.2044	2.1209	2.0561	2.0818	1.4458	2.1209	2.0818	2.0561	1.4458	1.3680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.152	O1	N11	N12	116.917
O2	N11	N12	116.914	H3	C6	H4	109.224
H3	C6	H5	108.656	H3	C6	N12	112.343
H4	C6	H5	109.351	H4	C6	N12	107.525
H5	C6	N12	109.702	C6	N12	C10	120.854
C6	N12	N11	115.931	H7	C10	H8	108.656
H7	C10	H9	109.224	H7	C10	N12	112.343
H8	C10	H9	109.351	H8	C10	N12	109.702
H9	C10	N12	107.525	C10	N12	N11	115.929

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-31G(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	-0.439
2	O	-0.439
3	H	0.163
4	H	0.163
5	H	0.196
6	C	-0.374
7	H	0.163
8	H	0.196
9	H	0.163
10	C	-0.374
11	N	0.677
12	N	-0.097

	x	y	z	Total
	4.327	0.000	0.108	4.328
CHELPG
AIM
ESP

	x	y	z
x	7.886	0.000	-0.028
y	0.000	7.655	0.000
z	-0.028	0.000	4.788

<r²>	147.096
(<r²>)^1/2	12.128

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)