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	hartrees
Energy at 0K	-259.252571
Energy at 298.15K
HF Energy	-259.067701
Nuclear repulsion energy	121.695960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3450	3450	28.56
2	A'	1613	1613	49.59
3	A'	1179	1179	142.29
4	A'	879	879	29.67
5	A'	677	677	140.90
6	A'	630	630	66.28
7	A'	519	519	161.54
8	A"	3616	3616	40.40
9	A"	1467	1467	44.01
10	A"	1151	1151	49.19
11	A"	498	498	8.85
12	A"	373	373	24.63

Atom	x (Å)	y (Å)	z (Å)
N1	0.070	-1.294	0.000
N2	0.006	0.149	0.000
O3	0.006	0.706	1.161
O4	0.006	0.706	-1.161
H5	-0.316	-1.640	-0.877
H6	-0.316	-1.640	0.877

	N1	N2	O3	O4	H5	H6
N1		1.4446	2.3134	2.3134	1.0184	1.0184
N2	1.4446		1.2876	1.2876	2.0178	2.0178
O3	2.3134	1.2876		2.3218	3.1236	2.3845
O4	2.3134	1.2876	2.3218		2.3845	3.1236
H5	1.0184	2.0178	3.1236	2.3845		1.7535
H6	1.0184	2.0178	2.3845	3.1236	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	115.597	N1	N2	O4	115.597
N2	N1	H5	108.790	N2	N1	H6	108.790
O3	N2	O4	128.751	H5	N1	H6	118.842

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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=FULLultrafine/3-21G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)