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	hartrees
Energy at 0K	-260.425642
Energy at 298.15K	-260.430629
HF Energy	-259.660083
Nuclear repulsion energy	126.366270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3507	3364
2	A'	1610	1544
3	A'	1402	1345
4	A'	1032	990
5	A'	862	827
6	A'	728	698
7	A'	653	626
8	A"	3638	3489
9	A"	1716	1646
10	A"	1263	1212
11	A"	559	536
12	A"	363	348

Atom	x (Å)	y (Å)	z (Å)
N1	0.091	-1.266	0.000
N2	0.006	0.151	0.000
O3	0.006	0.686	1.099
O4	0.006	0.686	-1.099
H5	-0.387	-1.586	-0.846
H6	-0.387	-1.586	0.846

	N1	N2	O3	O4	H5	H6
N1		1.4190	2.2415	2.2415	1.0227	1.0227
N2	1.4190		1.2227	1.2227	1.9710	1.9710
O3	2.2415	1.2227		2.1987	3.0163	2.3190
O4	2.2415	1.2227	2.1987		2.3190	3.0163
H5	1.0227	1.9710	3.0163	2.3190		1.6920
H6	1.0227	1.9710	2.3190	3.0163	1.6920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	115.904	N1	N2	O4	115.904
N2	N1	H5	106.520	N2	N1	H6	106.520
O3	N2	O4	128.093	H5	N1	H6	111.623

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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: QCISD(T)=FULL/cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)