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	hartrees
Energy at 0K	-148.692356
Energy at 298.15K	-148.694555
HF Energy	-148.692356
Nuclear repulsion energy	61.121774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3088	17.04
2	A₁	2251	2172	351.77
3	A₁	1415	1366	33.52
4	A₁	1226	1183	0.82
5	B₁	583	563	1.38
6	B₁	398	384	142.84
7	B₂	3337	3220	5.01
8	B₂	1095	1057	1.26
9	B₂	423	408	0.55

Atom	y (Å)	z (Å)
C1	0.000	-1.142
N2	0.000	0.154
N3	0.000	1.296
H4	0.962	-1.648
H5	-0.962	-1.648

	C1	N2	N3	H4	H5
C1		1.2958	2.4374	1.0868	1.0868
N2	1.2958		1.1416	2.0426	2.0426
N3	2.4374	1.1416		3.0967	3.0967
H4	1.0868	2.0426	3.0967		1.9235
H5	1.0868	2.0426	3.0967	1.9235

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.762
N2	C1	H5	117.762		H4	C1	H5	124.476

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3PW91/cc-pVDZ

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	-0.150
2	N	0.144
3	N	-0.154
4	H	0.080
5	H	0.080

	x	y	z	Total
	0.000	0.000	-1.537	1.537
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)