%chk=000218774.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218774

0 1
S 9.481136 0.746593 -0.892618
S 10.100633 0.387131 1.036362
F -5.939856 -3.157402 -0.860488
F -7.190728 -2.218555 0.549700
F -7.263136 -1.646838 -1.494475
O -1.769979 -0.585953 -0.288588
O 10.283600 -1.272506 0.911471
O 11.411413 0.911833 1.222437
O 9.022791 0.612910 1.938601
N 5.544979 -0.237227 -0.537867
N -3.350050 1.068153 0.229787
C 1.802545 0.481232 -0.102617
C 3.082006 -0.318092 -0.377033
C 0.556925 -0.385844 -0.316219
C 4.330766 0.552134 -0.160582
C -0.710185 0.416932 -0.046545
C 6.806604 0.522243 -0.267505
C -3.055927 -0.184176 -0.130975
C -5.740947 0.443255 0.139604
C -5.353081 -0.888360 -0.246650
C 7.926368 -0.195396 -1.018302
C -4.696414 1.393381 0.368389
C -4.031336 -1.217471 -0.385546
C -7.089260 0.882773 0.310296
C -6.405099 -1.947125 -0.505543
C -5.009183 2.735933 0.755019
C -7.367696 2.176347 0.682016
C -6.319009 3.112776 0.906827
H 1.763676 1.368518 -0.765815
H 1.817044 0.874726 0.933226
H 3.077704 -0.704826 -1.417352
H 3.118819 -1.212803 0.274001
H 0.582469 -1.278408 0.342234
H 0.533183 -0.788919 -1.349777
H 4.288167 1.446884 -0.821715
H 4.362301 0.927090 0.885568
H -0.803631 0.768392 0.994520
H -0.865847 1.254717 -0.746519
H 5.560126 -1.119355 -0.011980
H 7.041942 0.606436 0.821612
H 6.692595 1.563598 -0.646694
H 7.689743 -0.266835 -2.104449
H 8.070188 -1.237164 -0.667919
H -3.662362 -2.202843 -0.674451
H -7.915906 0.192102 0.146352
H -4.183570 3.430408 0.920041
H -8.398927 2.504861 0.810431
H -6.576613 4.131007 1.200790
H 11.124820 -1.652769 1.216341


%chk=000218774-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218774

0 1
S 9.555059 0.872304 -0.905614
S 10.452286 -0.258798 1.110639
F -6.079502 -3.238842 -0.679689
F -7.399676 -2.145431 0.799504
F -7.513563 -1.645574 -1.408744
O -1.893438 -0.714786 -0.306418
O 11.907698 -1.075284 0.292067
O 11.034666 0.702930 2.274069
O 9.373373 -1.402794 1.522296
N 5.544407 0.009393 -0.376147
N -3.455764 0.997862 0.151861
C 1.716181 0.519835 -0.165304
C 3.065300 -0.200279 -0.383048
C 0.509023 -0.430999 -0.339508
C 4.274998 0.731530 -0.174731
C -0.817065 0.298646 -0.124577
C 6.791629 0.775085 -0.272544
C -3.196755 -0.278145 -0.147864
C -5.888197 0.446421 0.142134
C -5.534562 -0.919121 -0.181985
C 7.935491 -0.060011 -0.879197
C -4.785986 1.376483 0.299525
C -4.203304 -1.287246 -0.328046
C -7.226565 0.923221 0.312453
C -6.602388 -1.967252 -0.364929
C -5.060525 2.741257 0.619247
C -7.464775 2.265031 0.625314
C -6.378178 3.179145 0.779476
H 1.630769 1.364715 -0.879556
H 1.694382 0.964102 0.851467
H 3.110585 -0.622471 -1.405409
H 3.136966 -1.057201 0.319830
H 0.582641 -1.268856 0.380133
H 0.520150 -0.874588 -1.353490
H 4.235985 1.565314 -0.904089
H 4.213502 1.194529 0.841464
H -0.902701 0.727707 0.891368
H -0.972672 1.115558 -0.853916
H 5.578947 -0.900714 0.101172
H 7.062853 1.061533 0.770790
H 6.668605 1.715848 -0.842702
H 7.715556 -0.370036 -1.916918
H 8.107192 -0.977770 -0.277342
H -3.902931 -2.307470 -0.572081
H -8.070311 0.237153 0.197702
H -4.207805 3.417324 0.731117
H -8.492974 2.619077 0.753327
H -6.581856 4.227108 1.024365
H 12.587049 -1.251943 1.009928


