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	hartrees
Energy at 0K	-148.689856
Energy at 298.15K	-148.692154
HF Energy	-148.689856
Nuclear repulsion energy	61.300077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3082	15.74
2	A₁	2240	2134	505.07
3	A₁	1472	1402	40.57
4	A₁	1240	1181	3.82
5	B₁	579	552	15.01
6	B₁	495	471	163.83
7	B₂	3365	3206	2.54
8	B₂	1139	1085	1.80
9	B₂	431	411	0.28

Atom	y (Å)	z (Å)
C1	0.000	-1.143
N2	0.000	0.138
N3	0.000	1.316
H4	0.927	-1.659
H5	-0.927	-1.659

	C1	N2	N3	H4	H5
C1		1.2810	2.4599	1.0604	1.0604
N2	1.2810		1.1789	2.0212	2.0212
N3	2.4599	1.1789		3.1161	3.1161
H4	1.0604	2.0212	3.1161		1.8537
H5	1.0604	2.0212	3.1161	1.8537

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	119.065
N2	C1	H5	119.065		H4	C1	H5	121.869

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: wB97X-D/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	-0.541
2	N	0.204
3	N	-0.042
4	H	0.190
5	H	0.190

	x	y	z	Total
	0.000	0.000	-1.734	1.734
CHELPG
AIM
ESP

<r²>	38.073
(<r²>)^1/2	6.170

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)