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	hartrees
Energy at 0K	-148.680838
Energy at 298.15K	-148.683112
HF Energy	-148.680838
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3080	13.25
2	A₁	2258	2142	398.15
3	A₁	1486	1410	32.56
4	A₁	1251	1187	1.17
5	B₁	595	565	1.57
6	B₁	470	446	159.74
7	B₂	3371	3197	1.09
8	B₂	1148	1089	1.54
9	B₂	431	409	0.48

Atom	y (Å)	z (Å)
C1	0.000	-1.143
N2	0.000	0.137
N3	0.000	1.316
H4	0.927	-1.659
H5	-0.927	-1.659

	C1	N2	N3	H4	H5
C1		1.2807	2.4596	1.0605	1.0605
N2	1.2807		1.1789	2.0213	2.0213
N3	2.4596	1.1789		3.1162	3.1162
H4	1.0605	2.0213	3.1162		1.8534
H5	1.0605	2.0213	3.1162	1.8534

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	119.093
N2	C1	H5	119.093		H4	C1	H5	121.815

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: wB97X-D/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	-0.402
2	N	0.197
3	N	-0.223
4	H	0.214
5	H	0.214

	x	y	z	Total
	0.000	0.000	-1.718	1.718
CHELPG
AIM
ESP

<r²>	37.720
(<r²>)^1/2	6.142

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)