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	hartrees
Energy at 0K	-148.739259
Energy at 298.15K	-148.741480
HF Energy	-148.739259
Nuclear repulsion energy	61.099875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3080	12.08
2	A₁	2224	2131	333.38
3	A₁	1462	1401	28.37
4	A₁	1230	1178	0.75
5	B₁	584	559	1.60
6	B₁	427	409	143.98
7	B₂	3332	3192	0.75
8	B₂	1128	1081	1.62
9	B₂	426	408	0.49

Atom	y (Å)	z (Å)
C1	0.000	-1.142
N2	0.000	0.152
N3	0.000	1.298
H4	0.953	-1.650
H5	-0.953	-1.650

	C1	N2	N3	H4	H5
C1		1.2935	2.4395	1.0802	1.0802
N2	1.2935		1.1460	2.0386	2.0386
N3	2.4395	1.1460		3.0984	3.0984
H4	1.0802	2.0386	3.0984		1.9058
H5	1.0802	2.0386	3.0984	1.9058

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.096
N2	C1	H5	118.096		H4	C1	H5	123.808

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3LYPultrafine/6-31G*

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
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Number	Element	Mulliken
1	C	-0.342
2	N	0.188
3	N	-0.222
4	H	0.188
5	H	0.188

	x	y	z	Total
	0.000	0.000	-1.728	1.728
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)