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	hartrees
Energy at 0K	-147.900752
Energy at 298.15K	-147.903089
HF Energy	-147.900752
Nuclear repulsion energy	60.695436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3081	12.92
2	A₁	2064	1986	267.13
3	A₁	1462	1407	30.63
4	A₁	1186	1141	0.03
5	B₁	600	578	175.92
6	B₁	565	543	16.18
7	B₂	3317	3191	0.01
8	B₂	1136	1093	1.11
9	B₂	421	405	0.01

Atom	y (Å)	z (Å)
C1	0.000	-1.147
N2	0.000	0.150
N3	0.000	1.310
H4	0.945	-1.668
H5	-0.945	-1.668

	C1	N2	N3	H4	H5
C1		1.2977	2.4570	1.0786	1.0786
N2	1.2977		1.1592	2.0488	2.0488
N3	2.4570	1.1592		3.1234	3.1234
H4	1.0786	2.0488	3.1234		1.8899
H5	1.0786	2.0488	3.1234	1.8899

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.829
N2	C1	H5	118.829		H4	C1	H5	122.342

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.209
2	N	-0.169
3	N	-0.081
4	H	0.230
5	H	0.230

	x	y	z	Total
	0.000	0.000	-1.561	1.561
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)