%chk=000216728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216728

0 1
S -0.904705 -0.926497 2.010151
N 0.719627 1.699025 0.001611
N 3.205423 2.220695 -1.387423
C 0.796030 2.738651 -1.076637
C 2.035605 1.598582 0.715576
C 1.889135 2.337574 -2.088408
C 3.130626 1.201543 -0.294835
C -0.394154 1.991595 0.963754
C -1.622837 1.259257 0.473637
C -1.900610 -0.065318 0.835238
C -2.525210 1.923250 -0.376857
C -3.032916 -0.728704 0.352684
C -3.659796 1.268078 -0.858932
C -3.915400 -0.060163 -0.499261
C 0.224407 -1.896362 1.062339
C 0.627329 -1.541877 -0.224803
C 0.725371 -3.038135 1.696234
C 1.548519 -2.354148 -0.894993
C 1.652897 -3.836469 1.020133
C 2.061654 -3.498171 -0.275127
H 1.011699 3.755407 -0.681569
H -0.186518 2.777858 -1.592930
H 1.949522 0.805659 1.491051
H 2.323127 2.543393 1.225132
H 1.587250 1.400260 -2.605061
H 1.985624 3.129507 -2.861777
H 4.116058 1.180938 0.218222
H 2.927939 0.173351 -0.670082
H -0.606424 3.078032 1.073933
H -0.122685 1.645218 1.988792
H 3.924137 1.938416 -2.063712
H -2.337225 2.956055 -0.664156
H -3.230556 -1.763669 0.639028
H -4.349510 1.793185 -1.518974
H -4.798204 -0.569675 -0.879611
H 0.246635 -0.631582 -0.701762
H 0.400850 -3.311205 2.700074
H 1.864483 -2.092528 -1.902922
H 2.053317 -4.726477 1.502010
H 2.777889 -4.126946 -0.799667


%chk=000216728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216728

0 1
S -0.646424 -0.881685 2.151702
N 0.846206 1.837046 0.103546
N 3.182557 2.539685 -1.413260
C 0.729672 2.459248 -1.241519
C 2.109379 2.244690 0.779048
C 1.952109 2.105011 -2.107506
C 3.323866 1.883907 -0.094629
C -0.344344 2.103305 0.963862
C -1.565509 1.302401 0.532119
C -1.776635 -0.046576 0.931841
C -2.537677 1.903441 -0.310978
C -2.906526 -0.766853 0.480827
C -3.663998 1.187566 -0.771786
C -3.845300 -0.158588 -0.381905
C 0.271575 -2.067419 1.059474
C 0.958555 -1.608251 -0.087587
C 0.315219 -3.429379 1.436655
C 1.680865 -2.534670 -0.873477
C 1.058056 -4.344288 0.652708
C 1.735807 -3.901206 -0.506566
H 0.656137 3.573577 -1.162724
H -0.188613 2.084468 -1.728080
H 2.173695 1.709737 1.744445
H 2.128800 3.344635 0.979805
H 1.933018 1.003223 -2.304755
H 1.876107 2.628881 -3.077974
H 4.246706 2.245280 0.394659
H 3.380553 0.769971 -0.170901
H -0.600083 3.192408 0.965504
H -0.065448 1.821969 1.994308
H 4.023954 2.448610 -1.996182
H -2.402717 2.952265 -0.603639
H -3.047785 -1.800046 0.814234
H -4.395685 1.676882 -1.424214
H -4.715505 -0.726016 -0.729654
H 0.937329 -0.537092 -0.331112
H -0.228339 -3.769611 2.324502
H 2.210976 -2.185165 -1.767430
H 1.095503 -5.400211 0.943722
H 2.302347 -4.613544 -1.116988


