%chk=000213661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213661

0 1
O 3.223899 -0.346817 -0.126826
O -2.389545 2.581964 -0.523768
N -5.662351 -0.049314 -0.156926
C -6.905334 0.356022 -0.894420
C -5.975606 -0.408870 1.266058
C -7.917444 -0.802065 -0.888470
C -6.971825 -1.579834 1.303197
C -8.258128 -1.231599 0.543849
C -4.631176 1.037197 -0.219177
C -3.238717 0.388425 -0.135423
C -2.139110 1.405924 -0.332944
C -0.730505 0.926205 -0.278096
C 6.864054 0.463194 -0.147531
C 5.557327 -0.334452 -0.084737
C 0.940082 -0.843074 -0.103933
C -0.388684 -0.434119 -0.151205
C 8.083064 -0.462807 -0.041222
C 1.950970 0.154981 -0.189322
C 0.288524 1.886245 -0.364610
C 4.347839 0.591255 -0.189560
C 9.396462 0.329631 -0.103811
C 1.632728 1.512823 -0.318411
C 1.304783 -2.296202 0.020905
C 10.612652 -0.587436 0.001383
C 1.142925 -3.031606 -1.309079
H -7.375005 1.270900 -0.473720
H -6.615990 0.588069 -1.942664
H -5.026013 -0.712875 1.756475
H -6.379783 0.449201 1.845658
H -8.831032 -0.499874 -1.430966
H -7.491512 -1.662454 -1.442861
H -6.502677 -2.474802 0.847588
H -7.199014 -1.842763 2.351651
H -8.801911 -0.421886 1.065792
H -8.940134 -2.101347 0.529261
H -4.712356 1.587537 -1.183678
H -4.740556 1.805769 0.575886
H -3.112434 -0.127904 0.837245
H -3.167424 -0.413819 -0.902501
H 6.891163 1.212812 0.667582
H 6.912656 1.038859 -1.092730
H 5.498712 -0.918567 0.856293
H 5.518564 -1.089394 -0.896748
H -1.172883 -1.191521 -0.091870
H 8.038882 -1.040794 0.902203
H 8.059988 -1.214470 -0.853993
H 4.267530 1.292490 0.657432
H 4.300525 1.130193 -1.150354
H 0.016178 2.942505 -0.469996
H 9.444631 0.906244 -1.048427
H 9.423575 1.080123 0.710501
H 2.402459 2.273946 -0.385966
H 2.355460 -2.393554 0.374532
H 0.681894 -2.777828 0.801779
H 11.545699 -0.014310 -0.044239
H 10.617807 -1.146321 0.944213
H 10.638702 -1.320156 -0.813342
H 0.110138 -2.989992 -1.672717
H 1.421599 -4.086609 -1.214882
H 1.779177 -2.588478 -2.085457


%chk=000213661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213661

0 1
O 3.220297 -0.547448 -0.125483
O -2.412145 2.582160 -0.649449
N -5.814099 0.037673 -0.214250
C -7.087775 0.601053 -0.736615
C -6.005422 -0.532224 1.144622
C -8.189475 -0.475887 -0.803598
C -7.072330 -1.646460 1.141381
C -8.413344 -1.117072 0.584903
C -4.714312 1.035499 -0.266502
C -3.328632 0.372563 -0.175562
C -2.177989 1.357941 -0.402720
C -0.772383 0.847941 -0.329385
C 6.907502 0.442950 -0.154857
C 5.638275 -0.439051 -0.102286
C 0.871628 -0.988336 -0.043231
C -0.455797 -0.522074 -0.105822
C 8.211026 -0.382957 -0.069966
C 1.921361 -0.031418 -0.203575
C 0.295139 1.769373 -0.485846
C 4.358925 0.389513 -0.231170
C 9.486732 0.489572 -0.095929
C 1.631951 1.341248 -0.420417
C 1.190297 -2.459886 0.162450
C 10.784797 -0.343460 -0.025624
C 1.569696 -3.180338 -1.159488
H -7.446694 1.450803 -0.095336
H -6.895100 1.010855 -1.745796
H -5.042686 -0.942153 1.500629
H -6.312330 0.268583 1.871378
H -9.125734 -0.020652 -1.180581
H -7.879916 -1.256354 -1.525574
H -6.713227 -2.480936 0.508326
H -7.201112 -2.034957 2.170283
H -8.823866 -0.355068 1.279841
H -9.158556 -1.932683 0.522077
H -4.779517 1.573648 -1.229027
H -4.811565 1.813272 0.530813
H -3.182005 -0.115489 0.808747
H -3.275529 -0.440510 -0.927474
H 6.885699 1.176216 0.678240
H 6.913333 1.035694 -1.093601
H 5.607738 -1.000100 0.851346
H 5.664680 -1.188641 -0.916400
H -1.261083 -1.254574 0.020986
H 8.202026 -0.990380 0.858921
H 8.243908 -1.104194 -0.912906
H 4.288010 1.145732 0.577984
H 4.319033 0.910891 -1.209930
H 0.046898 2.822065 -0.657386
H 9.489422 1.104150 -1.019350
H 9.457387 1.203328 0.752553
H 2.437486 2.071501 -0.537725
H 2.032005 -2.561476 0.872025
H 0.313532 -2.961727 0.613867
H 11.681906 0.302162 -0.042437
H 10.819414 -0.946060 0.901622
H 10.854640 -1.041440 -0.881198
H 0.745309 -3.123030 -1.893196
H 1.790711 -4.247123 -0.971700
H 2.465359 -2.717627 -1.608703


