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	hartrees
Energy at 0K	-148.795304
Energy at 298.15K	-148.797560
HF Energy	-148.795304
Nuclear repulsion energy	61.456931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3079	14.39
2	A₁	2203	2126	432.66
3	A₁	1443	1393	37.83
4	A₁	1214	1172	3.63
5	B₁	567	547	15.07
6	B₁	465	449	152.78
7	B₂	3311	3196	2.57
8	B₂	1121	1082	1.43
9	B₂	424	410	0.24

Atom	y (Å)	z (Å)
C1	0.000	-1.137
N2	0.000	0.155
N3	0.000	1.289
H4	0.951	-1.643
H5	-0.951	-1.643

	C1	N2	N3	H4	H5
C1		1.2917	2.4256	1.0771	1.0771
N2	1.2917		1.1339	2.0339	2.0339
N3	2.4256	1.1339		3.0822	3.0822
H4	1.0771	2.0339	3.0822		1.9012
H5	1.0771	2.0339	3.0822	1.9012

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.044
N2	C1	H5	118.044		H4	C1	H5	123.912

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3LYP/TZVP

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	-0.362
2	N	0.249
3	N	-0.207
4	H	0.160
5	H	0.160

	x	y	z	Total
	0.000	0.000	-1.647	1.647
CHELPG
AIM
ESP

<r²>	38.007
(<r²>)^1/2	6.165

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CH₂NN (diazomethane)