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	hartrees
Energy at 0K	-148.690355
Energy at 298.15K	-148.692590
HF Energy	-148.690355
Nuclear repulsion energy	61.432592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3085	15.76
2	A₁	2242	2155	328.59
3	A₁	1442	1387	29.76
4	A₁	1232	1185	0.84
5	B₁	590	568	1.19
6	B₁	423	407	125.07
7	B₂	3336	3207	2.86
8	B₂	1115	1072	1.49
9	B₂	430	414	0.49

Atom	y (Å)	z (Å)
C1	0.000	-1.136
N2	0.000	0.152
N3	0.000	1.290
H4	0.953	-1.641
H5	-0.953	-1.641

	C1	N2	N3	H4	H5
C1		1.2879	2.4254	1.0787	1.0787
N2	1.2879		1.1375	2.0305	2.0305
N3	2.4254	1.1375		3.0815	3.0815
H4	1.0787	2.0305	3.0815		1.9065
H5	1.0787	2.0305	3.0815	1.9065

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.911
N2	C1	H5	117.911		H4	C1	H5	124.179

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3PW91/6-31G(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	-0.418
2	N	0.329
3	N	-0.267
4	H	0.178
5	H	0.178

	x	y	z	Total
	0.000	0.000	-1.710	1.710
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NN (diazomethane)