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	hartrees
Energy at 0K	-148.691668
Energy at 298.15K	-148.693931
HF Energy	-148.691668
Nuclear repulsion energy	61.287998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3085	17.62
2	A₁	2245	2148	437.77
3	A₁	1443	1380	36.86
4	A₁	1234	1181	1.98
5	B₁	577	552	10.02
6	B₁	468	448	161.34
7	B₂	3352	3206	3.24
8	B₂	1111	1063	1.42
9	B₂	430	411	0.23

Atom	y (Å)	z (Å)
C1	0.000	-1.139
N2	0.000	0.152
N3	0.000	1.293
H4	0.953	-1.644
H5	-0.953	-1.644

	C1	N2	N3	H4	H5
C1		1.2911	2.4321	1.0784	1.0784
N2	1.2911		1.1410	2.0332	2.0332
N3	2.4321	1.1410		3.0878	3.0878
H4	1.0784	2.0332	3.0878		1.9057
H5	1.0784	2.0332	3.0878	1.9057

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.922
N2	C1	H5	117.922		H4	C1	H5	124.156

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/6-31+G**

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	-0.511
2	N	0.220
3	N	-0.075
4	H	0.183
5	H	0.183

	x	y	z	Total
	0.000	0.000	-1.738	1.738
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CH₂NN (diazomethane)