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	hartrees
Energy at 0K	-148.693399
Energy at 298.15K	-148.695645
HF Energy	-148.693399
Nuclear repulsion energy	61.540664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3084	16.28
2	A₁	2253	2158	336.60
3	A₁	1444	1383	29.41
4	A₁	1237	1184	0.84
5	B₁	596	571	0.80
6	B₁	427	409	122.33
7	B₂	3350	3208	2.65
8	B₂	1115	1068	1.61
9	B₂	434	416	0.56

Atom	y (Å)	z (Å)
C1	0.000	-1.134
N2	0.000	0.152
N3	0.000	1.287
H4	0.952	-1.637
H5	-0.952	-1.637

	C1	N2	N3	H4	H5
C1		1.2864	2.4214	1.0767	1.0767
N2	1.2864		1.1350	2.0270	2.0270
N3	2.4214	1.1350		3.0756	3.0756
H4	1.0767	2.0270	3.0756		1.9038
H5	1.0767	2.0270	3.0756	1.9038

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.860
N2	C1	H5	117.860		H4	C1	H5	124.279

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.382
2	N	0.314
3	N	-0.258
4	H	0.163
5	H	0.163

	x	y	z	Total
	0.000	0.000	-1.678	1.678
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NN (diazomethane)