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	hartrees
Energy at 0K	-148.682056
Energy at 298.15K	-148.684295
HF Energy	-148.682056
Nuclear repulsion energy	61.304993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3073	14.69
2	A₁	2263	2148	346.50
3	A₁	1460	1386	29.53
4	A₁	1245	1182	0.44
5	B₁	592	562	0.98
6	B₁	435	413	151.45
7	B₂	3358	3188	1.48
8	B₂	1122	1066	1.23
9	B₂	431	410	0.42

Atom	y (Å)	z (Å)
C1	0.000	-1.137
N2	0.000	0.151
N3	0.000	1.293
H4	0.952	-1.644
H5	-0.952	-1.644

	C1	N2	N3	H4	H5
C1		1.2889	2.4307	1.0787	1.0787
N2	1.2889		1.1418	2.0326	2.0326
N3	2.4307	1.1418		3.0880	3.0880
H4	1.0787	2.0326	3.0880		1.9045
H5	1.0787	2.0326	3.0880	1.9045

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.025
N2	C1	H5	118.025		H4	C1	H5	123.951

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/6-31G*

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	-0.372
2	N	0.178
3	N	-0.215
4	H	0.204
5	H	0.204

	x	y	z	Total
	0.000	0.000	-1.713	1.713
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)