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	hartrees
Energy at 0K	-260.423053
Energy at 298.15K	-260.428029
HF Energy	-259.647844
Nuclear repulsion energy	125.916129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3564	3564
2	A'	1649	1649
3	A'	1382	1382
4	A'	1014	1014
5	A'	829	829
6	A'	713	713
7	A'	641	641
8	A"	3703	3703
9	A"	1660	1660
10	A"	1259	1259
11	A"	554	554
12	A"	389	389

Atom	x (Å)	y (Å)	z (Å)
N1	0.091	-1.261	0.000
N2	0.002	0.143	0.000
O3	0.002	0.690	1.107
O4	0.002	0.690	-1.107
H5	-0.337	-1.606	-0.852
H6	-0.337	-1.606	0.852

	N1	N2	O3	O4	H5	H6
N1		1.4069	2.2444	2.2444	1.0138	1.0138
N2	1.4069		1.2347	1.2347	1.9753	1.9753
O3	2.2444	1.2347		2.2146	3.0370	2.3349
O4	2.2444	1.2347	2.2146		2.3349	3.0370
H5	1.0138	1.9753	3.0370	2.3349		1.7032
H6	1.0138	1.9753	2.3349	3.0370	1.7032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.195	N1	N2	O4	116.195
N2	N1	H5	108.279	N2	N1	H6	108.279
O3	N2	O4	127.496	H5	N1	H6	114.275

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: QCISD(T)=FULL/6-31+G**

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/6-31+G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)