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	hartrees
Energy at 0K	-148.565050
Energy at 298.15K	-148.567305
HF Energy	-148.565050
Nuclear repulsion energy	61.313243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3081	15.67
2	A₁	2275	2162	357.00
3	A₁	1466	1393	31.06
4	A₁	1252	1190	0.43
5	B₁	595	565	1.28
6	B₁	448	426	157.83
7	B₂	3362	3195	2.01
8	B₂	1127	1071	1.11
9	B₂	433	411	0.36

Atom	y (Å)	z (Å)
C1	0.000	-1.137
N2	0.000	0.152
N3	0.000	1.293
H4	0.953	-1.645
H5	-0.953	-1.645

	C1	N2	N3	H4	H5
C1		1.2884	2.4298	1.0801	1.0801
N2	1.2884		1.1414	2.0335	2.0335
N3	2.4298	1.1414		3.0885	3.0885
H4	1.0801	2.0335	3.0885		1.9066
H5	1.0801	2.0335	3.0885	1.9066

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.046
N2	C1	H5	118.046		H4	C1	H5	123.909

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: PBE1PBE/6-31G*

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	-0.399
2	N	0.180
3	N	-0.215
4	H	0.217
5	H	0.217

	x	y	z	Total
	0.000	0.000	-1.724	1.724
CHELPG
AIM
ESP

<r²>	37.724
(<r²>)^1/2	6.142

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)