#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm2Frz.gbw" end

* xyz 1 1
  C          -0.11760373585042     -3.40335565987992      0.17276110572217
  C           1.13238656529974     -3.23172553857241     -0.40700417825397
  C           1.73801239648031     -1.98682208784396     -0.35405098579532
  C           1.10759390839730     -0.92275540915402      0.28503242554466
  C          -0.15254175748793     -1.10578184968971      0.84783687964137
  C          -0.76610809697673     -2.34821942320849      0.80169439131483
  H           1.62395817021283     -4.06828471275450     -0.88712149429032
  H           2.71931608501345     -1.85380133982325     -0.79723010712464
  H          -0.65876177832930     -0.28223338844217      1.34216775206600
  H          -1.73951897561630     -2.50451284151933      1.24887277377320
  C           1.78204936801774      0.44278267122581      0.34683646055882
  H           1.79119523101172      0.83057890395944      1.36422508929083
  H           2.82062857037229      0.33325680656872      0.01734925697108
  H           1.19936677947916      1.05728626693469     -1.64801681387568
  C           0.32300378056675      2.45121963085374     -0.32750836819137
  C          -0.27152480134270      3.13663067473124     -1.42624898052003
  C           0.10124690954976      2.93044475383983      0.99596892852355
  C          -1.04724355426161      4.25004110478387     -1.21197412554909
  H          -0.10136034995034      2.76568211037870     -2.43127555585150
  C          -0.67689056072362      4.04135214558085      1.19741043401872
  H           0.54533178650118      2.41928612711818      1.84033119601930
  C          -1.24589146545816      4.69602415187233      0.09654971996845
  H          -1.50108625165939      4.77674266660287     -2.04194599507926
  H          -0.85292328646681      4.41618484636956      2.19793542949008
  H          -1.85893639488102      5.57503215141058      0.26722479110127
  C           1.10547060473932      1.34039149430716     -0.60014789941416
  Cl         -0.87832681663727     -4.95281698564981      0.11241647994098
*

