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	hartrees
Energy at 0K	-148.634824
Energy at 298.15K
HF Energy	-148.634824
Nuclear repulsion energy	61.675968

Atom	y (Å)	z (Å)
C1	0.000	-1.133
N2	0.000	0.155
N3	0.000	1.283
H4	0.952	-1.636
H5	-0.952	-1.636

	C1	N2	N3	H4	H5
C1		1.2876	2.4162	1.0766	1.0766
N2	1.2876		1.1287	2.0279	2.0279
N3	2.4162	1.1287		3.0706	3.0706
H4	1.0766	2.0279	3.0706		1.9036
H5	1.0766	2.0279	3.0706	1.9036

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.859
N2	C1	H5	117.859		H4	C1	H5	124.282

Number	Element	Mulliken
1	C	-0.314
2	N	0.165
3	N	-0.103
4	H	0.126
5	H	0.126

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: HSEh1PBE/cc-pVTZ

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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<r²>	37.603
(<r²>)^1/2	6.132

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)