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	hartrees
Energy at 0K	-148.777610
Energy at 298.15K	-148.779811
HF Energy	-148.777610
Nuclear repulsion energy	61.314670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3076	9.06
2	A₁	2203	2129	375.86
3	A₁	1445	1396	34.72
4	A₁	1216	1175	2.01
5	B₁	581	562	3.12
6	B₁	398	384	157.85
7	B₂	3304	3193	0.50
8	B₂	1130	1092	1.10
9	B₂	427	412	0.32

Atom	y (Å)	z (Å)
C1	0.000	-1.139
N2	0.000	0.155
N3	0.000	1.292
H4	0.952	-1.646
H5	-0.952	-1.646

	C1	N2	N3	H4	H5
C1		1.2943	2.4315	1.0786	1.0786
N2	1.2943		1.1371	2.0374	2.0374
N3	2.4315	1.1371		3.0888	3.0888
H4	1.0786	2.0374	3.0888		1.9041
H5	1.0786	2.0374	3.0888	1.9041

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.036
N2	C1	H5	118.036		H4	C1	H5	123.928

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	-0.444
2	N	0.091
3	N	-0.132
4	H	0.243
5	H	0.243

	x	y	z	Total
	0.000	0.000	-1.624	1.624
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)