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	hartrees
Energy at 0K	-148.737897
Energy at 298.15K	-148.740157
HF Energy	-148.737897
Nuclear repulsion energy	61.679301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3068	14.94
2	A₁	2238	2142	412.41
3	A₁	1436	1375	35.70
4	A₁	1225	1172	3.09
5	B₁	595	569	2.48
6	B₁	434	415	136.61
7	B₂	3333	3190	2.57
8	B₂	1112	1065	1.46
9	B₂	437	419	0.45

Atom	y (Å)	z (Å)
C1	0.000	-1.133
N2	0.000	0.155
N3	0.000	1.284
H4	0.950	-1.634
H5	-0.950	-1.634

	C1	N2	N3	H4	H5
C1		1.2882	2.4170	1.0744	1.0744
N2	1.2882		1.1288	2.0260	2.0260
N3	2.4170	1.1288		3.0689	3.0689
H4	1.0744	2.0260	3.0689		1.9008
H5	1.0744	2.0260	3.0689	1.9008

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.796
N2	C1	H5	117.796		H4	C1	H5	124.407

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/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	-0.347
2	N	0.165
3	N	-0.097
4	H	0.140
5	H	0.140

	x	y	z	Total
	0.000	0.000	-1.562	1.562
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)