%chk=000201172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201172

0 1
O -3.669791 0.896529 1.877092
O -4.964150 1.356027 -0.058670
N -0.173913 -2.676991 0.300023
N 1.198714 0.578867 -1.063081
C -0.181423 -1.577602 -0.728582
C 1.009114 -0.695749 -0.488715
C 2.115215 -1.037579 0.278335
C 2.193302 -2.317623 1.024069
C 1.165872 -3.324975 0.461492
C 3.046800 0.057662 0.211443
C -1.482864 -0.804968 -0.588996
C 2.444010 1.063642 -0.624270
C 4.318114 0.299742 0.762089
C -1.878459 -0.358999 0.698936
C -2.247596 -0.536127 -1.724637
C 3.090830 2.284203 -0.903860
C -3.055718 0.349012 0.757128
C -3.835385 0.625252 -0.406533
C -3.456238 0.195786 -1.657938
C 4.949065 1.500495 0.483347
C 4.339503 2.482040 -0.341166
C -4.891512 1.543893 1.393887
H -0.096943 -1.991670 -1.774077
H 3.211569 -2.749200 0.977746
H 1.980164 -2.124724 2.098854
H 1.553666 -3.756051 -0.486815
H 1.037614 -4.164659 1.179062
H -0.873742 -3.380735 0.040945
H 0.514626 1.088761 -1.586426
H -1.272450 -0.586089 1.577811
H 4.784240 -0.451563 1.394802
H -1.923611 -0.895887 -2.700581
H 2.622498 3.032428 -1.533421
H -4.047183 0.400323 -2.545220
H 5.932073 1.709351 0.899451
H 4.876935 3.410830 -0.528086
H -4.803296 2.620458 1.589688
H -5.748751 1.025889 1.843376


%chk=000201172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201172

0 1
O -3.786998 0.852640 1.898858
O -5.011546 1.421162 -0.091104
N -0.120956 -2.678181 0.335339
N 1.221622 0.535585 -1.040057
C -0.178178 -1.598906 -0.683571
C 1.042037 -0.730183 -0.462299
C 2.157214 -1.063668 0.301086
C 2.250006 -2.376962 1.038047
C 1.196227 -3.353117 0.456607
C 3.079091 0.052415 0.212162
C -1.489570 -0.814113 -0.574652
C 2.463386 1.045499 -0.637270
C 4.363021 0.316592 0.757239
C -1.950010 -0.399086 0.710071
C -2.218953 -0.481787 -1.741863
C 3.091362 2.272723 -0.938372
C -3.131230 0.337910 0.750981
C -3.853172 0.673021 -0.417069
C -3.423692 0.276272 -1.684081
C 4.994764 1.540266 0.457580
C 4.365590 2.508265 -0.379717
C -4.996080 1.553130 1.392355
H -0.125396 -2.006742 -1.728477
H 3.258729 -2.824684 0.939438
H 2.061023 -2.232079 2.120309
H 1.567085 -3.731504 -0.528098
H 1.072436 -4.223398 1.125872
H -0.902545 -3.335592 0.226789
H 0.512444 1.032699 -1.575939
H -1.388820 -0.671262 1.607030
H 4.855875 -0.418482 1.403806
H -1.858500 -0.830800 -2.716849
H 2.613696 3.020138 -1.581937
H -3.991424 0.528058 -2.583097
H 5.985585 1.756814 0.872717
H 4.881437 3.451148 -0.593670
H -4.929343 2.622754 1.655958
H -5.895320 1.063455 1.804380


