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	hartrees
Energy at 0K	-148.717425
Energy at 298.15K	-148.719636
HF Energy	-148.717425
Nuclear repulsion energy	61.506413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3072	10.91
2	A₁	2243	2150	386.41
3	A₁	1443	1384	35.48
4	A₁	1232	1181	1.37
5	B₁	591	566	1.88
6	B₁	395	379	161.50
7	B₂	3331	3193	1.02
8	B₂	1126	1079	0.91
9	B₂	434	416	0.30

Atom	y (Å)	z (Å)
C1	0.000	-1.136
N2	0.000	0.154
N3	0.000	1.288
H4	0.952	-1.640
H5	-0.952	-1.640

	C1	N2	N3	H4	H5
C1		1.2897	2.4233	1.0772	1.0772
N2	1.2897		1.1335	2.0310	2.0310
N3	2.4233	1.1335		3.0785	3.0785
H4	1.0772	2.0310	3.0785		1.9035
H5	1.0772	2.0310	3.0785	1.9035

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.923
N2	C1	H5	117.923		H4	C1	H5	124.154

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/6-311G*

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	-0.458
2	N	0.097
3	N	-0.143
4	H	0.252
5	H	0.252

	x	y	z	Total
	0.000	0.000	-1.608	1.608
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)