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	hartrees
Energy at 0K	-147.904983
Energy at 298.15K	-147.907413
HF Energy	-147.904983
Nuclear repulsion energy	62.518106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3337	3018	11.05
2	A₁	2291	2072	937.83
3	A₁	1560	1411	84.73
4	A₁	1281	1158	44.26
5	B₁	665	601	8.07
6	B₁	556	503	158.31
7	B₂	3471	3140	0.47
8	B₂	1235	1117	5.31
9	B₂	466	422	0.41

Atom	y (Å)	z (Å)
C1	0.000	-1.123
N2	0.000	0.161
N3	0.000	1.263
H4	0.946	-1.615
H5	-0.946	-1.615

	C1	N2	N3	H4	H5
C1		1.2839	2.3860	1.0661	1.0661
N2	1.2839		1.1021	2.0120	2.0120
N3	2.3860	1.1021		3.0294	3.0294
H4	1.0661	2.0120	3.0294		1.8915
H5	1.0661	2.0120	3.0294	1.8915

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.483
N2	C1	H5	117.483		H4	C1	H5	125.033

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: HF/daug-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	-1.180
2	N	0.364
3	N	-1.212
4	H	1.014
5	H	1.014

	x	y	z	Total
	0.000	0.000	-1.290	1.290
CHELPG
AIM
ESP

<r²>	37.207
(<r²>)^1/2	6.100

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)