PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
pd(co)4r
5202 Pd(CO)4 (Geo)
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REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
PM7
Pd(CO)4
<Pd-C> GR=PW91D
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Pd 2.06140000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.93746316 +1 90.3560519 +1 0.0000000 +0 2 1 0
C 1.93475338 +1 90.4851123 +1 -179.9320561 +1 2 1 3
C 1.94338677 +1 179.9549277 +1 -94.2732063 +1 2 1 4
O 1.15612074 +1 133.4950587 +1 179.9755782 +1 3 1 2
O 1.15077479 +1 136.7217481 +1 -179.9993282 +1 1 3 2
O 1.15650465 +1 179.9338372 +1 -177.1948491 +1 5 1 6
O 1.15629981 +1 133.3047787 +1 -179.9092508 +1 4 1 2