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	hartrees
Energy at 0K	-148.742698
Energy at 298.15K	-148.744939
HF Energy	-148.742698
Nuclear repulsion energy	61.110620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3082	13.42
2	A₁	2225	2138	335.45
3	A₁	1454	1397	28.45
4	A₁	1228	1180	0.79
5	B₁	584	561	1.69
6	B₁	443	426	138.38
7	B₂	3330	3200	1.11
8	B₂	1119	1075	1.75
9	B₂	427	410	0.51

Atom	y (Å)	z (Å)
C1	0.000	-1.142
N2	0.000	0.152
N3	0.000	1.298
H4	0.952	-1.650
H5	-0.952	-1.650

	C1	N2	N3	H4	H5
C1		1.2937	2.4394	1.0793	1.0793
N2	1.2937		1.1457	2.0378	2.0378
N3	2.4394	1.1457		3.0974	3.0974
H4	1.0793	2.0378	3.0974		1.9047
H5	1.0793	2.0378	3.0974	1.9047

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.071
N2	C1	H5	118.071		H4	C1	H5	123.858

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3LYP/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	-0.230
2	N	0.164
3	N	-0.225
4	H	0.145
5	H	0.145

	x	y	z	Total
	0.000	0.000	-1.718	1.718
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for CH₂NN (diazomethane)