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	hartrees
Energy at 0K	-148.629637
Energy at 298.15K	-148.631782
HF Energy	-148.629637
Nuclear repulsion energy	61.016880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3122	3100	14.93
2	A₁	2159	2144	310.07
3	A₁	1384	1374	31.51
4	A₁	1184	1176	1.27
5	B₁	562	558	3.48
6	B₁	365	363	129.28
7	B₂	3239	3217	3.13
8	B₂	1069	1062	0.98
9	B₂	421	418	0.25

Atom	y (Å)	z (Å)
C1	0.000	-1.144
N2	0.000	0.154
N3	0.000	1.299
H4	0.957	-1.653
H5	-0.957	-1.653

	C1	N2	N3	H4	H5
C1		1.2977	2.4426	1.0844	1.0844
N2	1.2977		1.1449	2.0447	2.0447
N3	2.4426	1.1449		3.1030	3.1030
H4	1.0844	2.0447	3.1030		1.9149
H5	1.0844	2.0447	3.1030	1.9149

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.995
N2	C1	H5	117.995		H4	C1	H5	124.010

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: PBEPBE/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	-0.292
2	N	0.139
3	N	-0.089
4	H	0.121
5	H	0.121

	x	y	z	Total
	0.000	0.000	-1.648	1.648
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)