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	hartrees
Energy at 0K	-147.843784
Energy at 298.15K
HF Energy	-147.843784
Nuclear repulsion energy	62.196493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3387	3043	9.35
2	A₁	2309	2074	777.36
3	A₁	1589	1428	63.28
4	A₁	1322	1188	15.20
5	B₁	666	598	13.58
6	B₁	594	534	163.58
7	B₂	3517	3160	0.05
8	B₂	1248	1122	4.30
9	B₂	453	407	0.60

Atom	y (Å)	z (Å)
C1	0.000	-1.125
N2	0.000	0.156
N3	0.000	1.272
H4	0.944	-1.624
H5	-0.944	-1.624

	C1	N2	N3	H4	H5
C1		1.2806	2.3967	1.0681	1.0681
N2	1.2806		1.1161	2.0145	2.0145
N3	2.3967	1.1161		3.0457	3.0457
H4	1.0681	2.0145	3.0457		1.8888
H5	1.0681	2.0145	3.0457	1.8888

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.845
N2	C1	H5	117.845		H4	C1	H5	124.310

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: HF/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	-0.408
2	N	0.151
3	N	-0.184
4	H	0.221
5	H	0.221

	x	y	z	Total
	0.000	0.000	-1.534	1.534
CHELPG
AIM
ESP

	x	y	z
x	1.499	0.000	0.000
y	0.000	2.155	-0.015
z	0.000	-0.015	6.586

<r²>	37.223
(<r²>)^1/2	6.101

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₂NN (diazomethane)