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	hartrees
Energy at 0K	-260.004583
Energy at 298.15K	-260.009458
HF Energy	-259.481003
Nuclear repulsion energy	123.025936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3554	3377	49.66
2	A'	1663	1580	64.93
3	A'	1334	1268	212.41
4	A'	952	905	23.05
5	A'	720	684	95.69
6	A'	683	649	99.14
7	A'	594	564	260.19
8	A"	3727	3541	62.19
9	A"	1773	1684	90.38
10	A"	1258	1195	13.60
11	A"	549	522	2.65
12	A"	387	368	29.90

Atom	x (Å)	y (Å)	z (Å)
N1	0.075	-1.275	0.000
N2	-0.001	0.135	0.000
O3	-0.001	0.707	1.141
O4	-0.001	0.707	-1.141
H5	-0.249	-1.667	-0.878
H6	-0.249	-1.667	0.878

	N1	N2	O3	O4	H5	H6
N1		1.4125	2.2890	2.2890	1.0144	1.0144
N2	1.4125		1.2765	1.2765	2.0196	2.0196
O3	2.2890	1.2765		2.2821	3.1264	2.4015
O4	2.2890	1.2765	2.2821		2.4015	3.1264
H5	1.0144	2.0196	3.1264	2.4015		1.7561
H6	1.0144	2.0196	2.4015	3.1264	1.7561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.597	N1	N2	O4	116.597
N2	N1	H5	111.590	N2	N1	H6	111.590
O3	N2	O4	126.723	H5	N1	H6	119.899

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: MP2=FULL/6-31G

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: MP2=FULL/6-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)