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	hartrees
Energy at 0K	-147.735113
Energy at 298.15K	-147.737380
HF Energy	-147.735113
Nuclear repulsion energy	60.146830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3107	15.52
2	A₁	2019	2001	201.20
3	A₁	1405	1392	29.40
4	A₁	1153	1142	0.03
5	B₁	551	546	40.30
6	B₁	533	528	153.58
7	B₂	3247	3217	0.36
8	B₂	1086	1076	0.42
9	B₂	412	408	0.10

Atom	y (Å)	z (Å)
C1	0.000	-1.156
N2	0.000	0.149
N3	0.000	1.323
H4	0.952	-1.681
H5	-0.952	-1.681

	C1	N2	N3	H4	H5
C1		1.3050	2.4788	1.0874	1.0874
N2	1.3050		1.1738	2.0627	2.0627
N3	2.4788	1.1738		3.1509	3.1509
H4	1.0874	2.0627	3.1509		1.9049
H5	1.0874	2.0627	3.1509	1.9049

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.848
N2	C1	H5	118.848		H4	C1	H5	122.304

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: PBEPBE/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	-0.239
2	N	-0.163
3	N	-0.083
4	H	0.243
5	H	0.243

	x	y	z	Total
	0.000	0.000	-1.613	1.613
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for CH₂NN (diazomethane)