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	hartrees
Energy at 0K	-148.682757
Energy at 298.15K	-148.685010
HF Energy	-148.682757
Nuclear repulsion energy	61.214850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3085	15.41
2	A₁	2253	2159	341.44
3	A₁	1451	1390	30.02
4	A₁	1238	1187	0.46
5	B₁	587	563	1.41
6	B₁	451	432	149.08
7	B₂	3344	3205	2.05
8	B₂	1114	1067	1.26
9	B₂	430	412	0.37

Atom	y (Å)	z (Å)
C1	0.000	-1.139
N2	0.000	0.152
N3	0.000	1.295
H4	0.953	-1.646
H5	-0.953	-1.646

	C1	N2	N3	H4	H5
C1		1.2907	2.4345	1.0796	1.0796
N2	1.2907		1.1438	2.0349	2.0349
N3	2.4345	1.1438		3.0922	3.0922
H4	1.0796	2.0349	3.0922		1.9061
H5	1.0796	2.0349	3.0922	1.9061

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.022
N2	C1	H5	118.022		H4	C1	H5	123.957

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3PW91/6-31G**

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	-0.283
2	N	0.164
3	N	-0.225
4	H	0.172
5	H	0.172

	x	y	z	Total
	0.000	0.000	-1.737	1.737
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CH₂NN (diazomethane)