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	hartrees
Energy at 0K	-146.995821
Energy at 298.15K	-146.998350
HF Energy	-146.995821
Nuclear repulsion energy	61.804901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3362	3045	9.94
2	A₁	2099	1901	653.16
3	A₁	1587	1437	69.71
4	A₁	1288	1166	2.37
5	B₁	788	714	214.53
6	B₁	643	582	5.21
7	B₂	3487	3158	1.18
8	B₂	1277	1156	4.19
9	B₂	456	413	0.11

Atom	y (Å)	z (Å)
C1	0.000	-1.129
N2	0.000	0.153
N3	0.000	1.283
H4	0.936	-1.640
H5	-0.936	-1.640

	C1	N2	N3	H4	H5
C1		1.2813	2.4121	1.0665	1.0665
N2	1.2813		1.1308	2.0219	2.0219
N3	2.4121	1.1308		3.0692	3.0692
H4	1.0665	2.0219	3.0692		1.8724
H5	1.0665	2.0219	3.0692	1.8724

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.619
N2	C1	H5	118.619		H4	C1	H5	122.763

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: HF/3-21G

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	-0.205
2	N	-0.247
3	N	-0.050
4	H	0.252
5	H	0.252

	x	y	z	Total
	0.000	0.000	-1.500	1.500
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for CH₂NN (diazomethane)