#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod18Frz.gbw" end

* xyz 1 1
  C          -0.00425022224367     -3.07169733363343      0.04368222566589
  C           0.97971306158592     -2.51560573786468      0.93592908755542
  C           1.37876978345261     -1.23389631234582      0.79401788585126
  C           0.85308366895660     -0.37426017719064     -0.23746678306266
  C          -0.13505914246642     -0.94454597786055     -1.11858617661107
  C          -0.54658216516287     -2.22323732783223     -0.98969356850538
  H           1.40133735791635     -3.12372493567397      1.72219522167435
  H           2.12013259921623     -0.82510032944072      1.47238624668355
  H          -0.56184895983619     -0.33389781412593     -1.90400794001064
  H          -1.28961854898223     -2.61387011664945     -1.66897304407671
  C           1.29948999045782      0.90681012371702     -0.33129786150754
  H           2.03866714137793      1.22541209436658      0.40157178355796
  H           1.75774407278165      2.37738724265244     -1.76119629795683
  H           0.21206331814964      1.58383069470608     -2.06024611626065
  C           0.17777605816036      3.06881856698651     -0.48637161752886
  C          -1.07600740098523      2.84772628159984      0.07668552929577
  C           0.80150011748248      4.29933456815543     -0.30877809573678
  C          -1.70648961855378      3.85469147444216      0.79448550972922
  H          -1.56875204641865      1.88831319510281     -0.05275416773187
  C           0.17217141563697      5.30645563005866      0.41108193338832
  H           1.77779349209443      4.47907063705341     -0.74755724818804
  C          -1.08285287649408      5.08589214766389      0.96192208047603
  H          -2.68725847206687      3.68022154509105      1.22197039823866
  H           0.66076186507006      6.26594682683706      0.53553220684509
  H          -1.57702553038807      5.87232781484501      1.52050781238994
  C           0.86664069561790      1.96659839114093     -1.27778471076621
  N          -0.40222616161185     -4.32691044465951      0.16731595308483
  C           0.14599065888595     -5.19205913413086      1.21989368346822
  C          -1.40357874646888     -4.89753852172731     -0.74314751737263
  H          -0.31677912561246     -6.17131154874053      1.14335741604660
  H           1.22461051858638     -5.30680267058326      1.09996497432389
  H          -0.07174994872953     -4.78117175433580      2.20712415100764
  H          -1.57306011093287     -5.93457951764302     -0.46964189956316
  H          -2.34893473137559     -4.35829967614505     -0.66237453440062
  H          -1.04876433710004     -4.86451688383613     -1.77452320000298
*

