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	hartrees
Energy at 0K	-260.498190
Energy at 298.15K	-260.503156
HF Energy	-259.685693
Nuclear repulsion energy	126.008107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3482	3378
2	A'	1597	1549
3	A'	1377	1335
4	A'	1012	982
5	A'	831	806
6	A'	722	701
7	A'	639	619
8	A"	3611	3503
9	A"	1653	1603
10	A"	1251	1214
11	A"	554	537
12	A"	365	354

Atom	x (Å)	y (Å)	z (Å)
N1	0.086	-1.267	0.000
N2	0.006	0.146	0.000
O3	0.006	0.690	1.102
O4	0.006	0.690	-1.102
H5	-0.370	-1.596	-0.853
H6	-0.370	-1.596	0.853

	N1	N2	O3	O4	H5	H6
N1		1.4152	2.2476	2.2476	1.0216	1.0216
N2	1.4152		1.2292	1.2292	1.9757	1.9757
O3	2.2476	1.2292		2.2043	3.0316	2.3305
O4	2.2476	1.2292	2.2043		2.3305	3.0316
H5	1.0216	1.9757	3.0316	2.3305		1.7054
H6	1.0216	1.9757	2.3305	3.0316	1.7054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.236	N1	N2	O4	116.236
N2	N1	H5	107.245	N2	N1	H6	107.245
O3	N2	O4	127.437	H5	N1	H6	113.167

All results from a given calculation for NH₂NO₂ (nitramide)

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

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)