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	hartrees
Energy at 0K	-148.781706
Energy at 298.15K	-148.783950
HF Energy	-148.781706
Nuclear repulsion energy	61.325828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3077	12.68
2	A₁	2205	2132	380.06
3	A₁	1436	1388	35.62
4	A₁	1212	1172	2.31
5	B₁	580	561	3.93
6	B₁	441	427	148.36
7	B₂	3306	3196	1.77
8	B₂	1116	1079	1.21
9	B₂	426	412	0.35

Atom	y (Å)	z (Å)
C1	0.000	-1.140
N2	0.000	0.155
N3	0.000	1.292
H4	0.952	-1.645
H5	-0.952	-1.645

	C1	N2	N3	H4	H5
C1		1.2949	2.4315	1.0777	1.0777
N2	1.2949		1.1367	2.0361	2.0361
N3	2.4315	1.1367		3.0870	3.0870
H4	1.0777	2.0361	3.0870		1.9041
H5	1.0777	2.0361	3.0870	1.9041

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.941
N2	C1	H5	117.941		H4	C1	H5	124.117

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3LYP/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
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Number	Element	Mulliken
1	C	-0.251
2	N	0.089
3	N	-0.133
4	H	0.147
5	H	0.147

	x	y	z	Total
	0.000	0.000	-1.604	1.604
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for CH₂NN (diazomethane)