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	hartrees
Energy at 0K	-148.609334
Energy at 298.15K	-148.611416
HF Energy	-148.609334
Nuclear repulsion energy	60.851282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3088	10.75
2	A₁	2165	2143	289.13
3	A₁	1391	1376	32.12
4	A₁	1190	1177	0.43
5	B₁	560	554	2.72
6	B₁	318	315	154.82
7	B₂	3237	3204	1.37
8	B₂	1082	1071	0.54
9	B₂	418	413	0.14

Atom	y (Å)	z (Å)
C1	0.000	-1.146
N2	0.000	0.153
N3	0.000	1.303
H4	0.959	-1.658
H5	-0.959	-1.658

	C1	N2	N3	H4	H5
C1		1.2994	2.4489	1.0868	1.0868
N2	1.2994		1.1495	2.0493	2.0493
N3	2.4489	1.1495		3.1121	3.1121
H4	1.0868	2.0493	3.1121		1.9176
H5	1.0868	2.0493	3.1121	1.9176

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.093
N2	C1	H5	118.093		H4	C1	H5	123.814

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: PBEPBE/6-311G*

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	-0.445
2	N	0.091
3	N	-0.139
4	H	0.247
5	H	0.247

	x	y	z	Total
	0.000	0.000	-1.675	1.675
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)