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	hartrees
Energy at 0K	-148.740101
Energy at 298.15K	-148.742379
HF Energy	-148.740101
Nuclear repulsion energy	61.728743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3214	3075	14.86
2	A₁	2234	2137	520.02
3	A₁	1468	1404	41.03
4	A₁	1231	1178	6.82
5	B₁	595	570	4.69
6	B₁	445	426	138.16
7	B₂	3342	3197	2.39
8	B₂	1141	1092	2.65
9	B₂	441	422	0.26

Atom	y (Å)	z (Å)
C1	0.000	-1.140
N2	0.000	0.137
N3	0.000	1.313
H4	0.923	-1.653
H5	-0.923	-1.653

	C1	N2	N3	H4	H5
C1		1.2772	2.4528	1.0558	1.0558
N2	1.2772		1.1755	2.0138	2.0138
N3	2.4528	1.1755		3.1056	3.1056
H4	1.0558	2.0138	3.1056		1.8461
H5	1.0558	2.0138	3.1056	1.8461

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	119.041
N2	C1	H5	119.041		H4	C1	H5	121.918

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.672
2	N	0.606
3	N	-0.675
4	H	0.370
5	H	0.370

	x	y	z	Total
	0.000	0.000	-1.559	1.559
CHELPG
AIM
ESP

<r²>	37.656
(<r²>)^1/2	6.136

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)