nmrproject/TMS/orca.xyz

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Coordinates from ORCA-job orca E -448.596882601830
Si 0.00000000687672 -0.00000000400465 -0.00000001520414
C 1.09444558691234 1.09444559882385 1.09444562027516
H 1.74907808886297 1.74907810920521 0.48220657114305
H 1.74907806587869 0.48220652449246 1.74907812881175
H 0.48220649334731 1.74907808393880 1.74907811133019
C -1.09444558912848 -1.09444559570982 1.09444561717547
H -1.74907808562574 -0.48220651258168 1.74907810448338
H -1.74907807843378 -1.74907810723762 0.48220655429348
H -0.48220651191463 -1.74907807998596 1.74907812258056
C 1.09444560961669 -1.09444562224516 -1.09444562623780
H 0.48220653098404 -1.74907813158252 -1.74907810523534
H 1.74907808410934 -0.48220655020552 -1.74907814500605
H 1.74907812420289 -1.74907810740527 -0.48220656061335
C -1.09444560337117 1.09444561488623 -1.09444561597028
H -1.74907811453749 0.48220655325400 -1.74907810906582
H -1.74907807980310 1.74907812280486 -0.48220653363142
H -0.48220652797661 1.74907810355280 -1.74907811912885