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	hartrees
Energy at 0K	-148.720384
Energy at 298.15K	-148.722671
HF Energy	-148.720384
Nuclear repulsion energy	61.542019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3068	13.96
2	A₁	2246	2148	450.18
3	A₁	1460	1397	40.45
4	A₁	1236	1182	3.02
5	B₁	592	566	2.53
6	B₁	469	449	160.36
7	B₂	3338	3193	2.18
8	B₂	1135	1086	1.32
9	B₂	434	415	0.41

Atom	y (Å)	z (Å)
C1	0.000	-1.142
N2	0.000	0.138
N3	0.000	1.314
H4	0.924	-1.656
H5	-0.924	-1.656

	C1	N2	N3	H4	H5
C1		1.2800	2.4563	1.0574	1.0574
N2	1.2800		1.1764	2.0178	2.0178
N3	2.4563	1.1764		3.1105	3.1105
H4	1.0574	2.0178	3.1105		1.8484
H5	1.0574	2.0178	3.1105	1.8484

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	119.069
N2	C1	H5	119.069		H4	C1	H5	121.861

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: wB97X-D/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	-0.289
2	N	0.108
3	N	-0.145
4	H	0.163
5	H	0.163

	x	y	z	Total
	0.000	0.000	-1.566	1.566
CHELPG
AIM
ESP

<r²>	37.681
(<r²>)^1/2	6.138

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CH₂NN (diazomethane)