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	hartrees
Energy at 0K	-148.585144
Energy at 298.15K	-148.587226
HF Energy	-148.585144
Nuclear repulsion energy	60.573169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	3106	17.09
2	A₁	2183	2170	265.49
3	A₁	1362	1354	29.31
4	A₁	1188	1181	0.16
5	B₁	558	555	1.47
6	B₁	325	323	132.47
7	B₂	3255	3236	5.18
8	B₂	1053	1047	0.95
9	B₂	411	408	0.40

Atom	y (Å)	z (Å)
C1	0.000	-1.151
N2	0.000	0.153
N3	0.000	1.308
H4	0.968	-1.662
H5	-0.968	-1.662

	C1	N2	N3	H4	H5
C1		1.3041	2.4593	1.0945	1.0945
N2	1.3041		1.1553	2.0572	2.0572
N3	2.4593	1.1553		3.1243	3.1243
H4	1.0945	2.0572	3.1243		1.9353
H5	1.0945	2.0572	3.1243	1.9353

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.856
N2	C1	H5	117.856		H4	C1	H5	124.288

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.129
2	N	0.145
3	N	-0.149
4	H	0.067
5	H	0.067

	x	y	z	Total
	0.000	0.000	-1.546	1.546
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)