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	hartrees
Energy at 0K	-261.000527
Energy at 298.15K	-261.005535
HF Energy	-260.677735
Nuclear repulsion energy	127.302165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3399	32.94
2	A'	1616	1551	54.71
3	A'	1367	1312	219.71
4	A'	1008	967	17.24
5	A'	803	770	86.69
6	A'	725	696	89.53
7	A'	625	600	125.95
8	A"	3673	3524	61.24
9	A"	1652	1585	310.31
10	A"	1246	1195	56.46
11	A"	570	547	0.97
12	A"	414	397	24.58

Atom	x (Å)	y (Å)	z (Å)
N1	0.074	-1.245	0.000
N2	0.005	0.142	0.000
O3	0.005	0.683	1.093
O4	0.005	0.683	-1.093
H5	-0.318	-1.606	-0.857
H6	-0.318	-1.606	0.857

	N1	N2	O3	O4	H5	H6
N1		1.3890	2.2182	2.2182	1.0090	1.0090
N2	1.3890		1.2200	1.2200	1.9733	1.9733
O3	2.2182	1.2200		2.1865	3.0247	2.3243
O4	2.2182	1.2200	2.1865		2.3243	3.0247
H5	1.0090	1.9733	3.0247	2.3243		1.7134
H6	1.0090	1.9733	2.3243	3.0247	1.7134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.317	N1	N2	O4	116.317
N2	N1	H5	109.734	N2	N1	H6	109.734
O3	N2	O4	127.296	H5	N1	H6	116.213

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: B2PLYP=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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)