%chk=000269144.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269144

0 1
O 5.312824 -1.532415 0.797491
N -2.941539 1.604256 0.758400
N 4.746292 0.417471 -0.299331
C -0.947741 0.367594 0.089407
C 0.522302 0.366996 -0.001771
C -3.132223 -0.642529 -0.225720
C -1.708484 -0.698068 -0.335684
C -3.718550 0.530720 0.328030
C 1.269723 -0.671888 0.577406
C 1.190146 1.406363 -0.670080
C -1.623409 1.517655 0.641535
C 3.322204 0.362346 -0.176673
C 2.660386 -0.680616 0.495569
C 2.579996 1.410884 -0.762581
C -3.984967 -1.708851 -0.647535
C -5.143222 0.624374 0.453711
C -5.346874 -1.596515 -0.517345
C -5.930767 -0.418869 0.038560
C 5.664981 -0.537750 0.198831
C 7.100961 -0.196689 -0.088329
H -1.243715 -1.586980 -0.763020
H 0.758383 -1.478886 1.104342
H 0.617066 2.213389 -1.127933
H -1.030731 2.372023 0.994859
H 3.232272 -1.496115 0.953826
H 3.079369 2.221940 -1.286616
H -3.532673 -2.604589 -1.070825
H -5.564977 1.534917 0.882290
H -6.005739 -2.403472 -0.835501
H -7.015669 -0.366432 0.126315
H 5.113283 1.230450 -0.797857
H 7.317414 -0.151749 -1.163848
H 7.758674 -0.975797 0.335397
H 7.408701 0.755727 0.362981


%chk=000269144-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269144

0 1
O 5.418986 -1.759577 0.491552
N -3.017242 1.730198 0.436388
N 4.796773 0.397872 -0.200322
C -0.969736 0.399001 0.041463
C 0.514527 0.383569 -0.012968
C -3.173881 -0.680820 -0.137855
C -1.746958 -0.743510 -0.206856
C -3.781764 0.594766 0.184346
C 1.256658 -0.772890 0.352767
C 1.248545 1.526919 -0.434994
C -1.681390 1.613899 0.367176
C 3.377227 0.343011 -0.122190
C 2.662560 -0.809869 0.302817
C 2.652513 1.509369 -0.489260
C -4.020610 -1.810822 -0.384710
C -5.206314 0.699683 0.249794
C -5.409798 -1.682350 -0.313967
C -6.006755 -0.419760 0.004792
C 5.732930 -0.600883 0.093087
C 7.183005 -0.161254 -0.113850
H -1.268493 -1.690389 -0.484074
H 0.725269 -1.660212 0.715329
H 0.716677 2.429554 -0.754223
H -1.112782 2.521990 0.604517
H 3.216196 -1.703774 0.594225
H 3.191067 2.403917 -0.828584
H -3.563283 -2.777279 -0.629618
H -5.633724 1.676475 0.496581
H -6.051390 -2.549984 -0.503058
H -7.097862 -0.336119 0.055821
H 5.181163 1.292767 -0.514094
H 7.371807 0.119200 -1.166832
H 7.842805 -0.999499 0.151090
H 7.436970 0.705696 0.524011


