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	hartrees
Energy at 0K	-148.706717
Energy at 298.15K	-148.709069
HF Energy	-148.706717
Nuclear repulsion energy	60.089390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3082	11.20
2	A₁	2082	2002	311.20
3	A₁	1453	1397	42.92
4	A₁	1195	1149	0.36
5	B₁	665	639	232.29
6	B₁	542	522	3.88
7	B₂	3344	3215	0.00
8	B₂	1141	1096	0.45
9	B₂	417	401	0.07

Atom	y (Å)	z (Å)
C1	0.000	-1.160
N2	0.000	0.149
N3	0.000	1.324
H4	0.949	-1.678
H5	-0.949	-1.678

	C1	N2	N3	H4	H5
C1		1.3094	2.4843	1.0816	1.0816
N2	1.3094		1.1749	2.0594	2.0594
N3	2.4843	1.1749		3.1489	3.1489
H4	1.0816	2.0594	3.1489		1.8988
H5	1.0816	2.0594	3.1489	1.8988

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.619
N2	C1	H5	118.619		H4	C1	H5	122.761

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3LYP/SDD

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	-0.530
2	N	0.059
3	N	-0.031
4	H	0.251
5	H	0.251

	x	y	z	Total
	0.000	0.000	-1.954	1.954
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CH₂NN (diazomethane)