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	hartrees
Energy at 0K	-148.748095
Energy at 298.15K	-148.750164
HF Energy	-148.748095
Nuclear repulsion energy	60.699438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	3095	7.65
2	A₁	2117	2111	287.73
3	A₁	1398	1395	30.05
4	A₁	1168	1165	1.21
5	B₁	551	549	4.08
6	B₁	318	317	147.08
7	B₂	3218	3210	0.24
8	B₂	1092	1089	0.92
9	B₂	410	409	0.20

Atom	y (Å)	z (Å)
C1	0.000	-1.150
N2	0.000	0.155
N3	0.000	1.306
H4	0.957	-1.663
H5	-0.957	-1.663

	C1	N2	N3	H4	H5
C1		1.3050	2.4567	1.0855	1.0855
N2	1.3050		1.1517	2.0539	2.0539
N3	2.4567	1.1517		3.1195	3.1195
H4	1.0855	2.0539	3.1195		1.9140
H5	1.0855	2.0539	3.1195	1.9140

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.163
N2	C1	H5	118.163		H4	C1	H5	123.674

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: BLYP/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	-0.421
2	N	0.086
3	N	-0.123
4	H	0.229
5	H	0.229

	x	y	z	Total
	0.000	0.000	-1.658	1.658
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)