PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

Pt(PMe3)2F2 (cis)r   7701 Pt(PMe3)2F2 (cis) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  7691 Platinum EDTAC10H12N2O8Pt
  7692 Methyl platinum(II) fluorideCH3FPt
  7693 Methyl platinum(II) fluoride (Geo)CH3FPt
  7694 Platinum F (Geo)F2Pt
  7695 Platinum(IV) oxide difluorideOF2Pt
  7696 Platinum(IV) oxide difluoride (Geo)OF2Pt
  7697 cis-Pt(PEt3)2(CH3)2C14H36P2Pt
  7698 cis-Pt(PEt3)2(2-Tol)2C26H44P2Pt
  7699 trans-Pt(PPh3)(C2H5)(benzoyl) (Geo)C45H40OP2Pt
  7700 Oxalato-bis(trimethylphosphine) platinum (Geo)C8H18O4P2Pt
  7701 Pt(PMe3)2F2 (cis) (Geo) C6H18F2P2Pt
  7702 cis-Pt(SMe2)2(C6H5)2 (Geo)C16H22S2Pt
  7703 Platinum(cyclooctadiene) maleonitriledithiolato (Geo)C12H12N2S2Pt
  7704 Platinum(cyclooctadiene) maleonitriledithiolatoC12H12N2S2Pt
  7705 Pt(Cyclo-octadiene) maleonitriledithiolato (Geo)C12H12N2S2Pt
  7706 cis-Pt(PEt3)2(SEt)2C16H40P2S2Pt
  7707 Pt(III)S4(-) (BEKSIT) (Geo)C8N4S4Pt
  7708 Pt(III)S4(-) (BEKSIT)C8N4S4Pt
  7709 Methyl platinum(II) chlorideCH3ClPt
  7710 Methyl platinum(II) chloride (Geo)CH3ClPt
  7711 Pt(II)N2ClO (ACHGLP10) (Geo)C2H7N2O2ClPt


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.
  
 UHF PM7
Pt(PMe3)2F2 (cis)
 <Pt-P> <> <P-Pt-P> <><><> <><><> <><><> <><><> <><><> <><><> <Pt-F> GR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     2.28333800 +1    0.0000000 +0    0.0000000 +0     1     0     0
  P     2.31751103 +1  100.8868640 +1    0.0000000 +0     1     2     0
  C     1.85810062 +1  115.4676380 +1  -52.3782709 +1     2     1     3
  C     1.85435911 +1  114.7447847 +1  120.4858111 +1     2     1     4
  C     1.83542159 +1  115.2383052 +1  119.6738666 +1     2     1     5
  C     1.86209740 +1  115.6269235 +1  -51.8143970 +1     3     1     2
  C     1.85796614 +1  114.7138197 +1  120.4402284 +1     3     1     7
  C     1.83486688 +1  115.1475191 +1  119.6918243 +1     3     1     8
  F     2.05487300 +1  178.1618009 +1 -178.7761961 +1     1     2     3
  F     1.92766670 +1   82.1004820 +1    7.6797076 +1     1     2     6
  H     1.11676078 +1  111.1756225 +1  -49.9427990 +1     4     2     1
  H     1.10953998 +1  113.3434245 +1  120.8922686 +1     4     2    12
  H     1.11179485 +1  112.2491470 +1  120.0881451 +1     4     2    13
  H     1.11859038 +1  110.7677336 +1   55.5196535 +1     5     2     1
  H     1.11003489 +1  113.3278039 +1 -119.6036712 +1     5     2    15
  H     1.11079846 +1  112.6367788 +1 -121.1674513 +1     5     2    16
  H     1.12075327 +1  111.7688450 +1   56.5771838 +1     6     2     1
  H     1.12215043 +1  111.6429028 +1 -116.5436758 +1     6     2    18
  H     1.10826058 +1  114.0126229 +1 -121.4828016 +1     6     2    19
  H     1.11635881 +1  111.1180924 +1  -50.6234808 +1     7     3     1
  H     1.11184239 +1  112.2482797 +1 -118.9059876 +1     7     3    21
  H     1.10909225 +1  113.3478858 +1 -120.0495746 +1     7     3    22
  H     1.11846152 +1  110.6936347 +1   54.7633241 +1     8     3     1
  H     1.11065321 +1  112.7108102 +1  119.2297002 +1     8     3    24
  H     1.10967921 +1  113.2792290 +1  121.1688462 +1     8     3    25
  H     1.12148025 +1  111.7215211 +1   56.5267918 +1     9     3     1
  H     1.10787176 +1  114.1917917 +1  122.1830433 +1     9     3    27
  H     1.12339407 +1  111.5734629 +1  121.6819600 +1     9     3    28