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	hartrees
Energy at 0K	-148.625397
Energy at 298.15K	-148.627752
HF Energy	-148.625397
Nuclear repulsion energy	60.836560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3095	16.63
2	A₁	2169	2069	314.44
3	A₁	1475	1407	32.55
4	A₁	1230	1174	0.00
5	B₁	646	616	183.34
6	B₁	544	519	4.03
7	B₂	3369	3213	0.17
8	B₂	1151	1098	1.64
9	B₂	421	401	0.07

Atom	y (Å)	z (Å)
C1	0.000	-1.144
N2	0.000	0.149
N3	0.000	1.307
H4	0.945	-1.662
H5	-0.945	-1.662

	C1	N2	N3	H4	H5
C1		1.2923	2.4505	1.0774	1.0774
N2	1.2923		1.1582	2.0422	2.0422
N3	2.4505	1.1582		3.1154	3.1154
H4	1.0774	2.0422	3.1154		1.8891
H5	1.0774	2.0422	3.1154	1.8891

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.756
N2	C1	H5	118.756		H4	C1	H5	122.488

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/6-31G

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	-0.239
2	N	-0.072
3	N	-0.090
4	H	0.201
5	H	0.201

	x	y	z	Total
	0.000	0.000	-1.882	1.882
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for CH₂NN (diazomethane)