%mem=120GB
%nprocshared=24
#p scrf=(smd,solvent=generic,read) nosymm
empiricaldispersion=gd3 m06/def2tzvp

Title Card Required

0 2
 C                 -1.05593000   -0.96813000   -0.20955400
 C                  0.12082900   -1.48126800    0.45798300
 C                  1.37268000   -0.90846800    0.16926800
 C                  2.52721400   -1.26794700    0.85237500
 C                  2.45609400   -2.22206600    1.87121600
 C                  1.21951300   -2.81038300    2.17718000
 C                  0.07755800   -2.44496300    1.49014700
 H                 -0.87080400   -2.90642400    1.76585700
 H                  1.18216300   -3.55118900    2.97483900
 O                  3.51018800   -2.63173300    2.61255400
 C                  4.75861000   -2.01422900    2.37559800
 H                  4.70707400   -0.92651200    2.53705600
 H                  5.11930900   -2.20907900    1.35505200
 H                  5.45940000   -2.45075800    3.09252400
 H                  3.47194400   -0.79668600    0.58939700
 H                  1.43547100   -0.14632300   -0.61037100
 N                 -1.69682400    0.51774800    0.99810900
 S                 -1.58150900    2.49912300    1.46167700
 O                 -1.65428200    2.95437200    2.87275500
 O                 -2.42409500    3.17693000    0.45907800
 C                  0.12155900    2.62529400    0.94564800
 C                  1.12861300    2.40059900    1.87824100
 C                  2.45032300    2.35014000    1.44626800
 C                  2.77452500    2.51731600    0.09752900
 C                  1.73921400    2.73676100   -0.82071400
 C                  0.41400600    2.78004800   -0.40805100
 H                 -0.39150900    2.93690000   -1.12455200
 H                  1.98152300    2.86521600   -1.87637700
 C                  4.19666000    2.44532100   -0.36861500
 H                  4.29983000    1.75923100   -1.22047200
 H                  4.55622000    3.42778100   -0.70587600
 H                  4.86441900    2.10081600    0.43072700
 H                  3.24709500    2.16704000    2.16822900
 H                  0.88183300    2.26462100    2.93039900
 C                 -3.10351400    0.08479600    1.16994000
 C                 -3.51127000   -0.68644000   -0.08774900
 C                 -4.83295200   -1.40467400    0.13614700
 H                 -4.77117400   -2.10224800    0.98427100
 H                 -5.64089000   -0.68773800    0.34383700
 H                 -5.11973200   -1.98072500   -0.75561500
 C                 -3.63826800    0.26392300   -1.27522500
 H                 -4.46740800    0.96861900   -1.11640000
 H                 -3.84359500   -0.29733900   -2.19854000
 H                 -2.72970200    0.86004600   -1.43229100
 C                 -2.36542700   -1.68568600   -0.29743400
 H                 -2.47182400   -2.18317800   -1.27716300
 H                 -2.43763900   -2.47138100    0.47009700
 H                 -3.75925300    0.95910400    1.30411900
 H                 -3.21461600   -0.55691100    2.05764200
 H                 -0.82600300   -0.32560500   -1.06280000
 H                 -1.15050500    0.18307700    1.80043600

solventname=HFIP
eps=16.7
epsinf=1.625625


