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	hartrees
Energy at 0K	-148.752934
Energy at 298.15K	-148.755206
HF Energy	-148.752934
Nuclear repulsion energy	61.702123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3080	15.39
2	A₁	2248	2156	424.87
3	A₁	1445	1386	37.27
4	A₁	1232	1182	3.22
5	B₁	597	573	2.65
6	B₁	443	425	139.67
7	B₂	3337	3201	3.01
8	B₂	1120	1074	1.47
9	B₂	439	421	0.43

Atom	y (Å)	z (Å)
C1	0.000	-1.133
N2	0.000	0.155
N3	0.000	1.283
H4	0.951	-1.634
H5	-0.951	-1.634

	C1	N2	N3	H4	H5
C1		1.2874	2.4156	1.0754	1.0754
N2	1.2874		1.1281	2.0264	2.0264
N3	2.4156	1.1281		3.0686	3.0686
H4	1.0754	2.0264	3.0686		1.9022
H5	1.0754	2.0264	3.0686	1.9022

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.819
N2	C1	H5	117.819		H4	C1	H5	124.362

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: mPW1PW91/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	-0.293
2	N	0.169
3	N	-0.109
4	H	0.116
5	H	0.116

	x	y	z	Total
	0.000	0.000	-1.577	1.577
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)