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	hartrees
Energy at 0K	-148.799190
Energy at 298.15K	-148.801438
HF Energy	-148.799190
Nuclear repulsion energy	61.506804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	3080	13.15
2	A₁	2202	2129	404.17
3	A₁	1442	1393	34.59
4	A₁	1210	1170	4.01
5	B₁	584	565	4.21
6	B₁	436	421	134.62
7	B₂	3308	3198	2.04
8	B₂	1120	1082	1.59
9	B₂	430	416	0.45

Atom	y (Å)	z (Å)
C1	0.000	-1.137
N2	0.000	0.156
N3	0.000	1.288
H4	0.950	-1.641
H5	-0.950	-1.641

	C1	N2	N3	H4	H5
C1		1.2923	2.4243	1.0755	1.0755
N2	1.2923		1.1320	2.0320	2.0320
N3	2.4243	1.1320		3.0785	3.0785
H4	1.0755	2.0320	3.0785		1.9004
H5	1.0755	2.0320	3.0785	1.9004

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.937
N2	C1	H5	117.937		H4	C1	H5	124.126

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3LYP/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	-0.295
2	N	0.138
3	N	-0.087
4	H	0.122
5	H	0.122

	x	y	z	Total
	0.000	0.000	-1.585	1.585
CHELPG
AIM
ESP

<r²>	37.832
(<r²>)^1/2	6.151

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)