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	hartrees
Energy at 0K	-147.841116
Energy at 298.15K	-147.843468
HF Energy	-147.841116
Nuclear repulsion energy	60.745880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3080	15.55
2	A₁	2086	2001	269.70
3	A₁	1455	1396	31.55
4	A₁	1196	1147	0.00
5	B₁	611	586	199.97
6	B₁	571	548	5.43
7	B₂	3327	3192	0.21
8	B₂	1134	1088	0.68
9	B₂	426	409	0.06

Atom	y (Å)	z (Å)
C1	0.000	-1.146
N2	0.000	0.150
N3	0.000	1.308
H4	0.946	-1.665
H5	-0.946	-1.665

	C1	N2	N3	H4	H5
C1		1.2956	2.4542	1.0795	1.0795
N2	1.2956		1.1587	2.0468	2.0468
N3	2.4542	1.1587		3.1205	3.1205
H4	1.0795	2.0468	3.1205		1.8928
H5	1.0795	2.0468	3.1205	1.8928

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.754
N2	C1	H5	118.754		H4	C1	H5	122.492

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3PW91/3-21G*

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	-0.248
2	N	-0.178
3	N	-0.082
4	H	0.254
5	H	0.254

	x	y	z	Total
	0.000	0.000	-1.619	1.619
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)