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	hartrees
Energy at 0K	-146.750095
Energy at 298.15K	-146.752104
HF Energy	-146.750095
Nuclear repulsion energy	58.955408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3420	3020	76.11
2	A₁	2218	1959	53.70
3	A₁	1528	1349	12.37
4	A₁	1230	1086	0.19
5	B₁	568	502	49.08
6	B₁	427	377	48.43
7	B₂	3604	3182	10.70
8	B₂	1146	1012	4.08
9	B₂	361	318	0.00

Atom	y (Å)	z (Å)
C1	0.000	-1.178
N2	0.000	0.139
N3	0.000	1.356
H4	0.959	-1.698
H5	-0.959	-1.698

	C1	N2	N3	H4	H5
C1		1.3165	2.5332	1.0908	1.0908
N2	1.3165		1.2167	2.0721	2.0721
N3	2.5332	1.2167		3.2006	3.2006
H4	1.0908	2.0721	3.2006		1.9173
H5	1.0908	2.0721	3.2006	1.9173

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.499
N2	C1	H5	118.499		H4	C1	H5	123.002

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/STO-3G

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	-0.135
2	N	-0.040
3	N	-0.040
4	H	0.107
5	H	0.107

	x	y	z	Total
	0.000	0.000	-1.462	1.462
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CH₂NN (diazomethane)