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	hartrees
Energy at 0K	-260.832526
Energy at 298.15K	-260.837518
HF Energy	-260.581878
Nuclear repulsion energy	126.430916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3388	38.61
2	A'	1632	1552	63.48
3	A'	1381	1313	231.35
4	A'	1009	960	16.77
5	A'	791	752	137.23
6	A'	715	680	96.82
7	A'	633	602	112.27
8	A"	3710	3528	67.10
9	A"	1672	1590	312.23
10	A"	1248	1187	47.87
11	A"	565	537	1.37
12	A"	418	398	28.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.081	-1.250	0.000
N2	0.002	0.140	0.000
O3	0.002	0.688	1.103
O4	0.002	0.688	-1.103
H5	-0.307	-1.617	-0.860
H6	-0.307	-1.617	0.860

	N1	N2	O3	O4	H5	H6
N1		1.3918	2.2307	2.2307	1.0123	1.0123
N2	1.3918		1.2318	1.2318	1.9805	1.9805
O3	2.2307	1.2318		2.2069	3.0433	2.3380
O4	2.2307	1.2318	2.2069		2.3380	3.0433
H5	1.0123	1.9805	3.0433	2.3380		1.7198
H6	1.0123	1.9805	2.3380	3.0433	1.7198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.345	N1	N2	O4	116.345
N2	N1	H5	109.934	N2	N1	H6	109.934
O3	N2	O4	127.219	H5	N1	H6	116.314

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

	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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All results from a given calculation for NH2NO2 (nitramide)

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)