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	hartrees
Energy at 0K	-147.900926
Energy at 298.15K	-147.903360
Nuclear repulsion energy	62.535496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3337	3032	11.14
2	A₁	2291	2082	941.85
3	A₁	1560	1417	84.62
4	A₁	1284	1167	43.12
5	B₁	664	603	8.13
6	B₁	557	506	161.67
7	B₂	3471	3154	0.53
8	B₂	1234	1122	4.91
9	B₂	464	422	0.52

Atom	y (Å)	z (Å)
C1	0.000	-1.122
N2	0.000	0.161
N3	0.000	1.263
H4	0.945	-1.615
H5	-0.945	-1.615

	C1	N2	N3	H4	H5
C1		1.2830	2.3850	1.0661	1.0661
N2	1.2830		1.1020	2.0120	2.0120
N3	2.3850	1.1020		3.0294	3.0294
H4	1.0661	2.0120	3.0294		1.8904
H5	1.0661	2.0120	3.0294	1.8904

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.551
N2	C1	H5	117.551		H4	C1	H5	124.899

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.049
2	N	0.205
3	N	-0.468
4	H	0.156
5	H	0.156

	x	y	z	Total
	0.000	0.000	-1.309	1.309
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂NN (diazomethane)