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	hartrees
Energy at 0K	-148.576540
Energy at 298.15K	-148.578681
HF Energy	-148.576540
Nuclear repulsion energy	60.661976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3103	15.95
2	A₁	2185	2155	258.34
3	A₁	1399	1380	26.99
4	A₁	1199	1182	0.08
5	B₁	561	554	1.23
6	B₁	374	369	139.45
7	B₂	3265	3220	2.62
8	B₂	1071	1057	0.91
9	B₂	417	412	0.25

Atom	y (Å)	z (Å)
C1	0.000	-1.148
N2	0.000	0.151
N3	0.000	1.308
H4	0.959	-1.661
H5	-0.959	-1.661

	C1	N2	N3	H4	H5
C1		1.2992	2.4566	1.0873	1.0873
N2	1.2992		1.1574	2.0499	2.0499
N3	2.4566	1.1574		3.1203	3.1203
H4	1.0873	2.0499	3.1203		1.9177
H5	1.0873	2.0499	3.1203	1.9177

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.132
N2	C1	H5	118.132		H4	C1	H5	123.737

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: PBEPBE/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	-0.258
2	N	0.161
3	N	-0.221
4	H	0.159
5	H	0.159

	x	y	z	Total
	0.000	0.000	-1.759	1.759
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CH₂NN (diazomethane)