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	hartrees
Energy at 0K	-339.534804
Energy at 298.15K	-339.543939
HF Energy	-339.122050
Nuclear repulsion energy	260.824093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3192	3063	2.88
2	A	3189	3060	2.09
3	A	3145	3017	29.44
4	A	3139	3012	0.16
5	A	3044	2921	46.56
6	A	3040	2917	19.92
7	A	1610	1544	276.12
8	A	1532	1470	37.31
9	A	1512	1451	2.48
10	A	1508	1447	12.84
11	A	1491	1431	10.35
12	A	1485	1425	23.58
13	A	1446	1387	7.74
14	A	1325	1271	275.26
15	A	1317	1264	0.75
16	A	1277	1225	1.99
17	A	1161	1114	67.48
18	A	1134	1088	2.12
19	A	1062	1019	12.62
20	A	1002	962	66.26
21	A	857	822	12.63
22	A	787	755	15.71
23	A	622	597	1.31
24	A	613	588	9.01
25	A	418	401	3.31
26	A	357	343	1.64
27	A	217	208	10.53
28	A	147	141	0.36
29	A	145	139	3.46
30	A	119	114	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	1.354	1.094	0.033
O2	1.354	-1.094	0.033
H3	-1.199	1.510	1.115
H4	-2.269	1.148	-0.259
H5	-0.770	2.056	-0.513
C6	-1.235	1.258	0.052
H7	-1.199	-1.510	1.114
H8	-0.770	-2.056	-0.513
H9	-2.269	-1.148	-0.259
C10	-1.235	-1.258	0.052
N11	0.799	-0.000	-0.029
N12	-0.566	-0.000	-0.234

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1889	2.8034	3.6347	2.3944	2.5937	3.8038	3.8389	4.2704	3.4979	1.2285	2.2255
O2	2.1889		3.8037	4.2705	3.8388	3.4979	2.8036	2.3946	3.6349	2.5938	1.2285	2.2255
H3	2.8034	3.8037		1.7781	1.7697	1.0923	3.0193	3.9434	3.1770	2.9649	2.7532	2.1210
H4	3.6347	4.2705	1.7781		1.7711	1.0856	3.1770	3.5467	2.2958	2.6373	3.2838	2.0541
H5	2.3944	3.8388	1.7697	1.7711		1.0829	3.9434	4.1130	3.5467	3.3944	2.6316	2.0854
C6	2.5937	3.4979	1.0923	1.0856	1.0829		2.9649	3.3944	2.6373	2.5163	2.3930	1.4534
H7	3.8038	2.8036	3.0193	3.1770	3.9434	2.9649		1.7697	1.7781	1.0923	2.7532	2.1210
H8	3.8389	2.3946	3.9434	3.5467	4.1130	3.3944	1.7697		1.7711	1.0829	2.6317	2.0854
H9	4.2704	3.6349	3.1770	2.2958	3.5467	2.6373	1.7781	1.7711		1.0856	3.2839	2.0541
C10	3.4979	2.5938	2.9649	2.6373	3.3944	2.5163	1.0923	1.0829	1.0856		2.3930	1.4534
N11	1.2285	1.2285	2.7532	3.2838	2.6316	2.3930	2.7532	2.6317	3.2839	2.3930		1.3801
N12	2.2255	2.2255	2.1210	2.0541	2.0854	1.4534	2.1210	2.0854	2.0541	1.4534	1.3801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	125.969	O1	N11	N12	116.992
O2	N11	N12	116.997	H3	C6	H4	109.463
H3	C6	H5	108.891	H3	C6	N12	112.067
H4	C6	H5	109.524	H4	C6	N12	107.114
H5	C6	N12	109.748	C6	N12	C10	119.911
C6	N12	N11	115.217	H7	C10	H8	108.891
H7	C10	H9	109.463	H7	C10	N12	112.067
H8	C10	H9	109.524	H8	C10	N12	109.749
H9	C10	N12	107.113	C10	N12	N11	115.221

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B2PLYP/cc-pVTZ

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	-0.335
2	O	-0.335
3	H	0.100
4	H	0.098
5	H	0.137
6	C	-0.176
7	H	0.100
8	H	0.137
9	H	0.098
10	C	-0.176
11	N	0.459
12	N	-0.108

	x	y	z
x	8.444	0.000	-0.053
y	0.000	8.389	0.000
z	-0.053	0.000	5.166

<r²>	148.690
(<r²>)^1/2	12.194

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)