%nprocshared=8
%mem=22GB
#p b3lyp 6-311+G(d,p) empiricaldispersion=gd3 scrf=(pcm,solvent=methylbutanoate) nosymm scf=maxcyc=512

Single point

0 1
 C                 -0.07613700    0.17367600   -0.76147500
 C                 -1.30823700   -0.61714900   -0.31094200
 C                 -2.55274900   -0.33407200   -0.90334700
 C                 -1.30098800   -1.49912800    0.77135000
 C                 -3.72168100   -0.92722400   -0.45164100
 H                 -2.61092700    0.39222200   -1.70750900
 C                 -2.46959000   -2.11631300    1.22338100
 H                 -0.36973900   -1.72680000    1.27851300
 C                 -3.71017600   -1.84656700    0.62030700
 H                 -4.66324000   -0.64971900   -0.91459800
 H                 -2.39588300   -2.81694200    2.04683600
 C                  1.26723100   -0.38088300   -0.25580200
 C                  2.25778900    0.47125600    0.25000300
 C                  1.59421600   -1.73268900   -0.40303400
 C                  3.50454700   -0.01342800    0.62944100
 H                  2.05841200    1.53399200    0.32728700
 C                  2.83756000   -2.23170700   -0.01606800
 H                  0.86290600   -2.42009900   -0.81805600
 C                  3.82318600   -1.38058900    0.51718900
 H                  4.25301600    0.68553300    0.99022000
 H                  3.02450400   -3.29381800   -0.12440100
 C                  0.04317300    0.27234200   -2.29168500
 C                  0.65257200    1.38898300   -2.87874500
 C                 -0.35005600   -0.78091100   -3.12415400
 C                  0.83631500    1.45701400   -4.25862500
 H                  0.98342100    2.20833700   -2.25027700
 C                 -0.15771500   -0.71037100   -4.50451200
 H                 -0.81779800   -1.66200000   -2.69620300
 C                  0.43155700    0.41123200   -5.09955000
 H                  1.30777900    2.33790100   -4.68935100
 H                 -0.47660500   -1.54224800   -5.12863300
 N                  5.10650600   -1.83477700    0.89347200
 C                  5.55764500   -1.47887900    2.24818100
 C                  5.46327300   -3.21524700    0.56892400
 C                  7.05494200   -1.73476600    2.38334800
 H                  5.01778100   -2.07763300    3.00296600
 H                  5.35400200   -0.42517100    2.44829900
 C                  6.96585000   -3.41581400    0.76121800
 H                  4.91658600   -3.93837500    1.20081100
 H                  5.21206700   -3.41809500   -0.47689300
 H                  7.38054300   -1.55352400    3.41192900
 H                  7.60697000   -1.05813200    1.71052400
 O                  7.37442500   -3.09038600    2.08565700
 H                  7.23082900   -4.46476700    0.59949600
 H                  7.51314100   -2.79499300    0.03321700
 N                 -4.91797600   -2.41050400    1.07533200
 C                 -5.80065100   -3.01273600    0.06392800
 C                 -4.88095100   -3.21996500    2.29268400
 C                 -7.18831900   -3.24649200    0.65251600
 H                 -5.38588000   -3.97589700   -0.28149700
 H                 -5.88640400   -2.35517300   -0.80282100
 C                 -6.30224600   -3.45114200    2.80382800
 H                 -4.39237900   -4.19512000    2.11787900
 H                 -4.31571300   -2.68878200    3.06454700
 H                 -7.82165400   -3.77290800   -0.06749300
 H                 -7.65420900   -2.27734300    0.89502800
 O                 -7.12403200   -4.06420300    1.81682700
 H                 -6.28747400   -4.12575500    3.66484400
 H                 -6.73939500   -2.48831200    3.11528000
 O                 -0.23037700    1.55329700   -0.31594100
 C                 -0.57192600    1.75080300    1.07435600
 H                 -1.64204600    1.55521200    1.20852000
 H                 -0.01739200    1.04264600    1.69873200
 C                 -0.21887200    3.17054600    1.42758200
 C                  0.92852700    3.46280400    2.17200000
 C                 -1.01950100    4.23208600    0.98319100
 C                  1.26985100    4.78417600    2.46694000
 H                  1.56171900    2.65124100    2.52339300
 C                 -0.67227700    5.54960500    1.27517400
 H                 -1.90446100    4.01846300    0.38966600
 C                  0.47575300    5.84937700    2.02469900
 H                  2.16628800    4.98958700    3.04772700
 H                 -1.30287700    6.36096300    0.91794600
 C                  0.82512000    7.27908100    2.36570600
 H                  0.57570400    7.95869500    1.54341100
 H                  0.26791500    7.62100600    3.24801800
 H                  1.89127500    7.39015900    2.58911500
 C                  0.60498600    0.50606000   -6.59702000
 H                 -0.21627900    1.07378200   -7.05444100
 H                  1.53701400    1.01835500   -6.86045800
 H                  0.61693800   -0.48453200   -7.06360600
 C                 -1.81281000    3.88202800   -2.55589100
 H                 -2.67241400    4.39712000   -2.99670200
 H                 -1.21920100    4.62134100   -1.99583100
 H                 -1.19079400    3.48276400   -3.36980500
 O                 -2.31616700    2.85432100   -1.71355500
 H                 -1.54631500    2.40650500   -1.30528100


