%nprocshared=24
%mem=41GB
#p b3lyp 6-311+G(d,p) empiricaldispersion=gd3 scrf=(pcm,solvent=methylbutanoate) nosymm scf=maxcyc=512

Single point

0 1
 C                 -0.20196800   -0.87886100    0.01780800
 C                 -0.87132900   -1.49678700   -1.21015800
 C                 -0.43522200   -1.47499200   -2.52816100
 C                 -2.06979500   -2.13835800   -0.84839000
 C                 -1.22111900   -2.10915600   -3.50014100
 H                  0.48977400   -0.97154300   -2.79507400
 C                 -2.84570900   -2.77749800   -1.81510100
 C                 -2.41091200   -2.75566800   -3.14499300
 H                 -0.90235600   -2.10083600   -4.53872300
 H                 -3.76968300   -3.28122200   -1.54412000
 C                 -1.20153600   -1.23254600    1.12393300
 C                 -1.14519400   -0.89819700    2.46855400
 C                 -2.27371200   -1.97670500    0.60144400
 C                 -2.18297800   -1.32423400    3.30842000
 H                 -0.31092800   -0.32115800    2.85802900
 C                 -3.30263000   -2.40893600    1.43806000
 C                 -3.24733600   -2.07585900    2.79626900
 H                 -2.15995800   -1.07288700    4.36509400
 H                 -4.13431500   -2.98792300    1.04552000
 C                  1.18338300   -1.44775200    0.31783900
 C                  2.16195400   -0.65786100    0.93281200
 C                  1.47967900   -2.78919300    0.04770700
 C                  3.41021700   -1.19578200    1.25028100
 H                  1.94828500    0.38114300    1.15669200
 C                  2.72599900   -3.32077400    0.37286600
 H                  0.73247700   -3.42238000   -0.42129700
 C                  3.71802700   -2.53330700    0.97353000
 H                  4.15683900   -0.56156400    1.72330400
 H                  2.93339900   -4.36535500    0.15160900
 O                 -0.02061500    0.54837700   -0.10174300
 C                 -1.19980400    1.32578100   -0.40450600
 H                 -1.48221300    1.15631600   -1.45048100
 H                 -2.02748700    0.99849400    0.23383100
 C                 -0.85806100    2.76779500   -0.14832600
 C                 -1.24167200    3.39232200    1.04288800
 C                 -0.10002800    3.49445100   -1.07621900
 C                 -0.88711100    4.71766100    1.29749000
 H                 -1.81765000    2.83525400    1.77863600
 C                  0.25730000    4.81641300   -0.81535400
 H                  0.23386600    3.00852400   -1.98914200
 C                 -0.13483200    5.45282100    0.37172400
 H                 -1.19590100    5.18710200    2.22885400
 H                  0.84961600    5.36510100   -1.54432500
 C                  0.22263900    6.89743800    0.63165700
 H                  1.17796800    7.16353800    0.16669000
 H                 -0.53891900    7.57176900    0.21780500
 H                  0.29395900    7.10657000    1.70429400
 C                  5.08247600   -3.10217400    1.28375700
 H                  5.75797500   -2.99589600    0.42445200
 H                  5.54924200   -2.58669900    2.12989200
 H                  5.02715900   -4.16979400    1.52228900
 C                  2.94419200    1.58999800   -1.79829400
 H                  3.57369400    1.76679100   -2.67621600
 H                  2.79157500    2.55157100   -1.28390000
 H                  3.47945000    0.91293100   -1.11646100
 O                  1.71885200    1.03247300   -2.25351000
 H                  1.16865500    0.86192100   -1.46122000
 H                 -4.04190800   -2.40328600    3.46116700
 H                 -3.00503900   -3.24641600   -3.91114000


