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	hartrees
Energy at 0K	-147.839756
Energy at 298.15K	-147.842123
HF Energy	-147.839756
Nuclear repulsion energy	60.872176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3085	16.01
2	A₁	2092	2002	279.47
3	A₁	1459	1396	31.49
4	A₁	1201	1149	0.00
5	B₁	620	593	199.01
6	B₁	575	550	4.25
7	B₂	3343	3199	0.18
8	B₂	1136	1086	0.79
9	B₂	429	410	0.05

Atom	y (Å)	z (Å)
C1	0.000	-1.144
N2	0.000	0.150
N3	0.000	1.305
H4	0.945	-1.662
H5	-0.945	-1.662

	C1	N2	N3	H4	H5
C1		1.2936	2.4493	1.0773	1.0773
N2	1.2936		1.1557	2.0430	2.0430
N3	2.4493	1.1557		3.1139	3.1139
H4	1.0773	2.0430	3.1139		1.8893
H5	1.0773	2.0430	3.1139	1.8893

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.731
N2	C1	H5	118.731		H4	C1	H5	122.538

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/3-21G

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	-0.235
2	N	-0.184
3	N	-0.077
4	H	0.248
5	H	0.248

	x	y	z	Total
	0.000	0.000	-1.580	1.580
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for CH₂NN (diazomethane)