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	hartrees
Energy at 0K	-257.131364
Energy at 298.15K	-257.135500
HF Energy	-257.022442
Nuclear repulsion energy	117.020712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3474	3474	10.99
2	A'	1760	1760	11.81
3	A'	1274	1274	27.17
4	A'	1130	1130	96.73
5	A'	826	826	74.22
6	A'	519	519	8.42
7	A'	507	507	6.21
8	A"	3688	3688	1.66
9	A"	1671	1671	4.64
10	A"	1262	1262	7.94
11	A"	431	431	4.67
12	A"	128	128	45.91

Atom	x (Å)	y (Å)	z (Å)
N1	0.126	-1.393	0.000
N2	0.004	0.172	0.000
O3	0.004	0.739	1.188
O4	0.004	0.739	-1.188
H5	-0.491	-1.638	-0.838
H6	-0.491	-1.638	0.838

	N1	N2	O3	O4	H5	H6
N1		1.5701	2.4442	2.4442	1.0685	1.0685
N2	1.5701		1.3165	1.3165	2.0546	2.0546
O3	2.4442	1.3165		2.3761	3.1619	2.4530
O4	2.4442	1.3165	2.3761		2.4530	3.1619
H5	1.0685	2.0546	3.1619	2.4530		1.6752
H6	1.0685	2.0546	2.4530	3.1619	1.6752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	115.439	N1	N2	O4	115.439
N2	N1	H5	100.557	N2	N1	H6	100.557
O3	N2	O4	128.957	H5	N1	H6	103.242

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: B2PLYP=FULL/STO-3G

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/STO-3G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)