%nprocshared=12
%Mem=20GB
%Chk=IXy_bb
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full 

IXy

0 1
 C                 -0.53810500    1.13615300   -0.09693100
 C                  0.55967900    1.89189100   -0.34212800
 C                  1.18679500   -0.31814500   -0.60437100
 N                 -0.13593300   -0.19144100   -0.26263800
 N                  1.58478900    0.99306300   -0.64534300
 H                 -1.54711700    1.40677300    0.17579000
 H                  0.71115200    2.96081600   -0.32981700
 C                 -1.01991600   -1.30789700   -0.06696800
 C                 -1.84807100   -1.71354900   -1.12686600
 C                 -1.03601800   -1.94237200    1.18654600
 C                 -2.71385800   -2.79226500   -0.90580500
 C                 -1.91444900   -3.01823100    1.36595200
 C                 -2.74773000   -3.43967900    0.32943100
 H                 -3.36250200   -3.12456400   -1.71231600
 H                 -1.94282100   -3.52535200    2.32710800
 C                  2.92141800    1.40880800   -0.96921800
 C                  3.84510500    1.59086400    0.07313100
 C                  3.25029900    1.63430100   -2.31575800
 C                  5.13656800    2.01623200   -0.26299600
 C                  4.55192000    2.05894300   -2.61054600
 C                  5.48749300    2.24947100   -1.59308700
 H                  5.86858700    2.16352400    0.52707100
 H                  4.82920300    2.23958600   -3.64608300
 C                  3.45189400    1.33075000    1.50591500
 H                  2.61973000    1.97399000    1.81735200
 H                  3.11748800    0.29566800    1.64137600
 H                  4.29325600    1.51129100    2.18182000
 C                  2.22944900    1.41187100   -3.40361800
 H                  1.32733900    2.01308100   -3.23774000
 H                  2.63790000    1.67134000   -4.38499200
 H                  1.90911900    0.36376100   -3.42969200
 C                 -1.79289000   -1.01757600   -2.46436100
 H                 -1.99638500    0.05590300   -2.37226300
 H                 -0.79872300   -1.11251500   -2.91689100
 H                 -2.52429900   -1.44397800   -3.15779100
 C                 -0.12281200   -1.48198400    2.29543500
 H                 -0.24479600   -0.41130200    2.49886100
 H                 -0.32071000   -2.03162600    3.22073500
 H                  0.92861900   -1.63351500    2.02480900
 H                 -3.42520800   -4.27538800    0.48462400
 H                  6.49385900    2.57939200   -1.83787700

N C H 0
6-311+G(d,p)
****








