#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts23.gbw" end

* xyz 1 1
  C          -0.22251739897723     -3.18302072610984      0.11987749523516
  C           1.06989041525689     -2.61626206902827     -0.03273595535770
  C           1.28856442617996     -1.26922175290292     -0.09820942941935
  C           0.21830969276521     -0.36725316690177      0.00234102586545
  C          -1.06374211515637     -0.88820241581126      0.19657377216640
  C          -1.27676477412425     -2.24681121260538      0.25619337915008
  H           2.31189375279488     -0.92526472558630     -0.20492094103719
  H          -1.91776707982610     -0.23176096319645      0.32107769088990
  H          -2.28489143211090     -2.60709421880343      0.40110584382352
  C           0.50096392169070      1.05950652747969     -0.09121481513590
  H           1.51931015379181      1.37140051985811      0.13100685137679
  H           0.34304068932773      1.47509203298706     -1.25638094986607
  H          -1.45826748639996      1.77886401950571     -0.51916435172742
  C          -0.22482699884754      3.50901129877273     -0.09287579740388
  C          -1.19355555585257      4.38577878765846     -0.60237720873559
  C           0.91007499060505      4.02363633921015      0.55271276524203
  C          -1.02041737026227      5.75362211765727     -0.49052304500657
  H          -2.07732467078784      3.98680206025385     -1.08949412264520
  C           1.07608773561912      5.39027221064363      0.66281620442625
  H           1.64628100117140      3.36016038247984      0.99103991181877
  C           0.11508562507742      6.25288596399418      0.13785950205265
  H          -1.76716826976846      6.43056960921146     -0.88704470309681
  H           1.94670249668193      5.79101499786461      1.16758382467135
  H           0.24987173754265      7.32454210516921      0.23118429181077
  C          -0.45469027100053      2.08912765761433     -0.23569158245675
  N          -0.44374797537598     -4.51657279311926      0.17727150625389
  C          -1.74145547259709     -5.01857072594027      0.60736539752331
  C           0.46671949426254     -5.50271721435745     -0.41122817076258
  H          -1.62940861084444     -6.06497124926729      0.88644499600420
  H          -2.09086747182463     -4.47592516270536      1.48677156445746
  H          -2.49635738417405     -4.94780763342854     -0.18444398996102
  H          -0.13229717485261     -6.33920680218045     -0.77078255105906
  H           0.99742791472568     -5.08226874878098     -1.26231362757460
  H           1.19206457967983     -5.87267595588473      0.31608358251126
  F           2.14907688561001     -3.42353909375030     -0.05730336403351
*

