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	hartrees
Energy at 0K	-148.736280
Energy at 298.15K	-148.738534
HF Energy	-148.736280
Nuclear repulsion energy	61.583478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3071	15.07
2	A₁	2230	2144	404.37
3	A₁	1435	1380	36.02
4	A₁	1222	1175	2.89
5	B₁	590	567	2.94
6	B₁	433	416	138.49
7	B₂	3318	3191	3.01
8	B₂	1112	1069	1.36
9	B₂	435	418	0.39

Atom	y (Å)	z (Å)
C1	0.000	-1.135
N2	0.000	0.155
N3	0.000	1.286
H4	0.952	-1.638
H5	-0.952	-1.638

	C1	N2	N3	H4	H5
C1		1.2893	2.4203	1.0768	1.0768
N2	1.2893		1.1310	2.0297	2.0297
N3	2.4203	1.1310		3.0746	3.0746
H4	1.0768	2.0297	3.0746		1.9038
H5	1.0768	2.0297	3.0746	1.9038

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.867
N2	C1	H5	117.867		H4	C1	H5	124.266

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3PW91/cc-pVTZ

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	-0.299
2	N	0.168
3	N	-0.111
4	H	0.121
5	H	0.121

	x	y	z	Total
	0.000	0.000	-1.601	1.601
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)