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	hartrees
Energy at 0K	-110.539833
Energy at 298.15K	-110.542539
HF Energy	-110.539833
Nuclear repulsion energy	32.023736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3096	3064	0.00
2	A_g	1618	1601	0.00
3	A_g	1566	1550	0.00
4	A_u	1327	1313	96.63
5	B_u	3125	3092	81.33
6	B_u	1343	1329	60.66

Atom	x (Å)	y (Å)
N1	0.000	0.626
N2	0.000	-0.626
H3	1.005	0.914
H4	-1.005	-0.914

	N1	N2	H3	H4
N1		1.2516	1.0460	1.8391
N2	1.2516		1.8391	1.0460
H3	1.0460	1.8391		2.7178
H4	1.8391	1.0460	2.7178

Number	Element	Mulliken
1	N	-0.292
2	N	-0.292
3	H	0.292
4	H	0.292

All results from a given calculation for N₂H₂ ((E)-diazene)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

	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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	2.274	0.679	0.000
y	0.679	2.793	0.000
z	0.000	0.000	1.099

<r²>	16.550
(<r²>)^1/2	4.068

All results from a given calculation for N2H2 ((E)-diazene)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for N₂H₂ ((E)-diazene)