%chk=000224951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224951

0 1
O 4.748292 -1.260892 -0.185932
N -3.800904 -0.012250 -0.576519
N -0.602424 1.010007 1.935919
N 1.619661 -0.584932 2.507394
C -2.989651 -0.786822 0.422246
C -2.895472 -0.038817 1.762074
C -2.044736 1.239403 1.675066
C -5.243458 0.068868 -0.162390
C -3.677616 -0.621260 -1.945438
C 0.261032 0.640201 0.893112
C -5.931962 1.220704 -0.895914
C -2.318410 -0.286176 -2.558876
C 1.487387 -0.082626 1.216685
C 2.474296 -0.277297 0.209629
C 0.049101 1.033628 -0.424767
C 2.204952 0.150706 -1.119672
C 1.018856 0.781740 -1.418845
C 3.675405 -0.956857 0.627895
C 3.802393 -1.451763 1.911454
C 2.724935 -1.254936 2.822723
C 5.236105 -0.235194 -1.085325
H -1.964468 -0.913631 0.001288
H -3.388012 -1.809509 0.597490
H -2.491440 -0.725240 2.531172
H -3.915285 0.234243 2.109317
H -2.390099 1.978990 2.433229
H -2.189138 1.722577 0.677989
H -5.795556 -0.880124 -0.332426
H -5.281831 0.264326 0.935396
H -4.478989 -0.193070 -2.589717
H -3.832130 -1.722148 -1.939154
H -0.418079 0.554879 2.838393
H -5.356948 2.150652 -0.788928
H -6.021903 1.026793 -1.970984
H -6.936694 1.396104 -0.499493
H -2.156362 0.799365 -2.581712
H -1.489062 -0.718535 -1.983635
H -2.247108 -0.661113 -3.584441
H -0.874756 1.546351 -0.698560
H 2.936825 -0.049844 -1.901975
H 0.808207 1.100776 -2.440316
H 4.702439 -1.976895 2.219771
H 2.794580 -1.653831 3.842086
H 4.575520 -0.166760 -1.960024
H 5.322087 0.725527 -0.571487
H 6.221923 -0.630517 -1.361198


%chk=000224951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224951

0 1
O 5.079034 -1.013084 -0.399693
N -4.192421 -0.243882 -0.248663
N -0.700884 0.479954 1.193768
N 1.305349 -1.261008 1.536942
C -3.595337 -0.629469 1.057192
C -3.082964 0.595334 1.853162
C -1.908655 1.306637 1.153679
C -5.610338 0.187596 -0.116312
C -3.990455 -1.271810 -1.307539
C 0.437806 0.709230 0.455693
C -6.063540 1.132613 -1.245994
C -2.555619 -1.276850 -1.868886
C 1.540456 -0.225309 0.650474
C 2.777449 -0.051382 -0.081240
C 0.594293 1.764782 -0.471227
C 2.878549 1.010520 -1.039826
C 1.800078 1.886930 -1.214085
C 3.811852 -1.019839 0.200945
C 3.553661 -2.084248 1.076855
C 2.287035 -2.168690 1.718059
C 5.863155 0.238863 -0.443602
H -2.743352 -1.306437 0.864604
H -4.321185 -1.202570 1.685791
H -2.779655 0.272523 2.871115
H -3.904761 1.324451 1.985885
H -1.723174 2.294598 1.630142
H -2.206637 1.490371 0.101546
H -6.300158 -0.693369 -0.059345
H -5.710726 0.721510 0.847486
H -4.690936 -1.048831 -2.132920
H -4.256898 -2.294070 -0.935891
H -0.626114 -0.313120 1.842035
H -5.415501 2.026007 -1.275638
H -6.014461 0.645706 -2.236689
H -7.108997 1.455949 -1.084193
H -2.316042 -0.294768 -2.313091
H -1.803840 -1.479678 -1.085122
H -2.447946 -2.054021 -2.648788
H -0.216360 2.481539 -0.630692
H 3.772059 1.119288 -1.657570
H 1.880782 2.693336 -1.952507
H 4.336350 -2.822110 1.270927
H 2.076711 -2.989008 2.413584
H 5.917665 0.610646 -1.481994
H 5.430163 1.015084 0.210582
H 6.876012 -0.025112 -0.096359


