%chk=000202743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202743

0 1
O 1.546829 -0.364492 -1.542292
O -1.121180 0.711277 2.021189
O 0.112725 2.199124 0.843302
N -3.828362 0.658262 -0.500249
C 1.956530 -0.396402 1.390182
C 0.999569 -1.311995 0.665175
C 2.827615 0.375636 0.429564
C 1.187439 0.563562 2.331674
C 0.834201 -1.237675 -0.726533
C 2.570741 0.375710 -0.948976
C 0.225990 -2.255055 1.358643
C 3.919883 1.131838 0.882144
C 0.068771 1.275999 1.618461
C -2.419992 0.513336 -0.019577
C -2.352199 1.155746 1.372668
C -0.072465 -2.046331 -1.430484
C 3.335077 1.108567 -1.870024
C -4.000241 1.936241 -1.271533
C -4.267461 -0.530750 -1.303359
C -0.680671 -3.072473 0.680566
C 4.699725 1.865455 -0.013408
C -0.831214 -2.965249 -0.709223
C 4.402376 1.860214 -1.384088
C -5.479657 2.320995 -1.318485
C -4.444951 -1.746116 -0.391839
H 2.626366 -1.028857 2.035956
H 0.780039 -0.007063 3.194307
H 1.878724 1.322864 2.754333
H 0.326360 -2.342214 2.440780
H 4.159904 1.148986 1.944872
H -1.661508 0.972062 -0.691194
H -2.135982 -0.561373 0.066921
H -3.123524 0.766439 2.061286
H -2.369962 2.256626 1.343635
H -0.161682 -1.945342 -2.509854
H 3.082315 1.081515 -2.927655
H -3.431910 2.739364 -0.750114
H -3.585459 1.877052 -2.300919
H -5.245857 -0.281522 -1.773608
H -3.567123 -0.771729 -2.132015
H -1.275131 -3.796326 1.234400
H 5.540595 2.450478 0.353478
H -1.542663 -3.606228 -1.230213
H 5.010430 2.445194 -2.074010
H -5.920838 2.300441 -0.312518
H -5.609678 3.329745 -1.723123
H -6.064816 1.631296 -1.936788
H -3.488408 -2.091135 0.020479
H -5.089367 -1.500541 0.463343
H -4.903406 -2.579654 -0.931778


%chk=000202743-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202743

0 1
O 1.076735 -0.532312 -1.322091
O -1.159495 0.221138 2.038006
O -0.090809 2.164333 1.303740
N -3.711240 0.800589 -0.701927
C 2.061966 -0.398751 1.464606
C 1.302048 -1.597240 0.905671
C 2.598153 0.490902 0.347875
C 1.188683 0.421920 2.498247
C 0.824358 -1.598188 -0.426384
C 2.067337 0.415382 -0.961219
C 1.015651 -2.729905 1.704494
C 3.611791 1.448879 0.588254
C -0.047448 1.052907 1.882435
C -2.478917 0.258749 -0.080331
C -2.429861 0.686159 1.398543
C 0.062911 -2.666000 -0.947384
C 2.495479 1.274582 -1.994169
C -3.518717 2.174554 -1.245419
C -4.361540 -0.129578 -1.660675
C 0.261148 -3.812043 1.205473
C 4.061789 2.315527 -0.429098
C -0.223272 -3.774025 -0.125322
C 3.492462 2.232375 -1.723376
C -4.816836 3.003940 -1.259820
C -5.060957 -1.313616 -0.966635
H 2.917968 -0.770899 2.063138
H 0.885745 -0.253109 3.316339
H 1.814690 1.234339 2.906219
H 1.382187 -2.754953 2.738521
H 4.044867 1.520930 1.594144
H -1.556905 0.604204 -0.600500
H -2.483390 -0.843878 -0.132135
H -3.227361 0.198923 1.978578
H -2.497236 1.783798 1.496038
H -0.277763 -2.614626 -1.985943
H 2.046901 1.173962 -2.986947
H -2.774132 2.687438 -0.608764
H -3.077827 2.141600 -2.273460
H -5.120363 0.446173 -2.221605
H -3.631645 -0.512999 -2.418756
H 0.049994 -4.675658 1.844508
H 4.843455 3.052263 -0.217087
H -0.810708 -4.608457 -0.523332
H 3.829176 2.905503 -2.519004
H -5.227199 3.085643 -0.238201
H -4.619039 4.021525 -1.645765
H -5.592575 2.548081 -1.901910
H -4.346096 -1.937765 -0.399837
H -5.824318 -0.942685 -0.260520
H -5.553351 -1.964129 -1.713716


