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	hartrees
Energy at 0K	-260.750571
Energy at 298.15K	-260.755570
HF Energy	-259.743458
Nuclear repulsion energy	126.823365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3540	3409
2	A'	1613	1553
3	A'	1367	1316
4	A'	1000	963
5	A'	829	798
6	A'	735	708
7	A'	648	624
8	A"	3668	3532
9	A"	1712	1649
10	A"	1252	1206
11	A"	558	537
12	A"	387	373

Atom	x (Å)	y (Å)	z (Å)
N1	0.082	-1.255	0.000
N2	0.006	0.147	0.000
O3	0.006	0.683	1.099
O4	0.006	0.683	-1.099
H5	-0.354	-1.588	-0.848
H6	-0.354	-1.588	0.848

	N1	N2	O3	O4	H5	H6
N1		1.4036	2.2291	2.2291	1.0100	1.0100
N2	1.4036		1.2229	1.2229	1.9643	1.9643
O3	2.2291	1.2229		2.1982	3.0131	2.3131
O4	2.2291	1.2229	2.1982		2.3131	3.0131
H5	1.0100	1.9643	3.0131	2.3131		1.6960
H6	1.0100	1.9643	2.3131	3.0131	1.6960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	115.968	N1	N2	O4	115.968
N2	N1	H5	107.835	N2	N1	H6	107.835
O3	N2	O4	127.982	H5	N1	H6	114.204

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: MP4=FULL/cc-pVTZ

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: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)