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	hartrees
Energy at 0K	-260.733673
Energy at 298.15K	-260.738711
HF Energy	-259.750773
Nuclear repulsion energy	127.631446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3567	3393	35.71
2	A'	1624	1546	64.53
3	A'	1411	1343	205.26
4	A'	1029	979	16.93
5	A'	816	776	103.91
6	A'	736	700	91.81
7	A'	655	624	105.47
8	A"	3691	3511	67.99
9	A"	1785	1698	264.24
10	A"	1273	1211	27.52
11	A"	575	547	1.27
12	A"	405	385	27.25

Atom	x (Å)	y (Å)	z (Å)
N1	0.078	-1.241	0.000
N2	0.005	0.141	0.000
O3	0.005	0.680	1.092
O4	0.005	0.680	-1.092
H5	-0.328	-1.593	-0.853
H6	-0.328	-1.593	0.853

	N1	N2	O3	O4	H5	H6
N1		1.3837	2.2110	2.2110	1.0084	1.0084
N2	1.3837		1.2179	1.2179	1.9611	1.9611
O3	2.2110	1.2179		2.1837	3.0105	2.3103
O4	2.2110	1.2179	2.1837		2.3103	3.0105
H5	1.0084	1.9611	3.0105	2.3103		1.7061
H6	1.0084	1.9611	2.3103	3.0105	1.7061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.254	N1	N2	O4	116.254
N2	N1	H5	109.127	N2	N1	H6	109.127
O3	N2	O4	127.411	H5	N1	H6	115.543

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)