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	hartrees
Energy at 0K	-148.522255
Energy at 298.15K	-148.524519
HF Energy	-148.522255
Nuclear repulsion energy	60.164462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3117	16.30
2	A₁	2098	2069	227.34
3	A₁	1421	1401	30.89
4	A₁	1184	1167	0.02
5	B₁	569	561	159.98
6	B₁	516	509	18.85
7	B₂	3279	3234	0.34
8	B₂	1104	1089	1.03
9	B₂	406	401	0.10

Atom	y (Å)	z (Å)
C1	0.000	-1.155
N2	0.000	0.148
N3	0.000	1.322
H4	0.952	-1.680
H5	-0.952	-1.680

	C1	N2	N3	H4	H5
C1		1.3033	2.4779	1.0871	1.0871
N2	1.3033		1.1745	2.0609	2.0609
N3	2.4779	1.1745		3.1497	3.1497
H4	1.0871	2.0609	3.1497		1.9046
H5	1.0871	2.0609	3.1497	1.9046

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.838
N2	C1	H5	118.838		H4	C1	H5	122.323

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: PBEPBE/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	-0.240
2	N	-0.055
3	N	-0.094
4	H	0.195
5	H	0.195

	x	y	z	Total
	0.000	0.000	-1.909	1.909
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CH₂NN (diazomethane)