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	hartrees
Energy at 0K	-148.693534
Energy at 298.15K	-148.695662
HF Energy	-148.693534
Nuclear repulsion energy	60.986842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3088	10.08
2	A₁	2163	2132	298.40
3	A₁	1398	1378	30.99
4	A₁	1182	1165	1.44
5	B₁	558	550	4.35
6	B₁	357	352	142.25
7	B₂	3253	3207	1.01
8	B₂	1084	1068	1.02
9	B₂	414	408	0.19

Atom	y (Å)	z (Å)
C1	0.000	-1.145
N2	0.000	0.154
N3	0.000	1.300
H4	0.955	-1.653
H5	-0.955	-1.653

	C1	N2	N3	H4	H5
C1		1.2996	2.4450	1.0820	1.0820
N2	1.2996		1.1454	2.0445	2.0445
N3	2.4450	1.1454		3.1037	3.1037
H4	1.0820	2.0445	3.1037		1.9106
H5	1.0820	2.0445	3.1037	1.9106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.007
N2	C1	H5	118.007		H4	C1	H5	123.986

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B97D3/6-311G**

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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Number	Element	Mulliken
1	C	-0.253
2	N	0.104
3	N	-0.152
4	H	0.150
5	H	0.150

	x	y	z	Total
	0.000	0.000	-1.647	1.647
CHELPG
AIM
ESP

<r²>	38.118
(<r²>)^1/2	6.174

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for CH₂NN (diazomethane)