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	hartrees
Energy at 0K	-260.393057
Energy at 298.15K	-260.398075
HF Energy	-259.648363
Nuclear repulsion energy	126.101467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3589	3371	37.40
2	A'	1653	1552	68.56
3	A'	1414	1328	207.71
4	A'	1024	962	17.54
5	A'	821	771	226.23
6	A'	722	678	71.93
7	A'	659	619	48.57
8	A"	3738	3511	65.80
9	A"	1806	1697	245.77
10	A"	1282	1204	22.53
11	A"	564	530	1.74
12	A"	408	383	33.08

Atom	x (Å)	y (Å)	z (Å)
N1	0.091	-1.253	0.000
N2	0.000	0.140	0.000
O3	0.000	0.688	1.108
O4	0.000	0.688	-1.108
H5	-0.320	-1.609	-0.854
H6	-0.320	-1.609	0.854

	N1	N2	O3	O4	H5	H6
N1		1.3961	2.2369	2.2369	1.0123	1.0123
N2	1.3961		1.2360	1.2360	1.9729	1.9729
O3	2.2369	1.2360		2.2158	3.0381	2.3335
O4	2.2369	1.2360	2.2158		2.3335	3.0381
H5	1.0123	1.9729	3.0381	2.3335		1.7079
H6	1.0123	1.9729	2.3335	3.0381	1.7079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.258	N1	N2	O4	116.258
N2	N1	H5	108.965	N2	N1	H6	108.965
O3	N2	O4	127.363	H5	N1	H6	115.043

All results from a given calculation for NH₂NO₂ (nitramide)

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

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)