%chk=000215748.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215748

0 1
O -3.017512 -0.179814 -0.080680
O 3.241879 -1.875186 -0.912115
O -3.534371 1.961238 0.512985
N 2.513685 0.073868 -0.013497
N 2.726942 1.289865 0.614151
C 1.108044 -0.170141 -0.129411
C 0.458268 0.960432 0.454409
C 0.388330 -1.245832 -0.680307
C -0.940016 1.035087 0.498067
C 1.538581 1.832720 0.898066
C -1.626148 -0.038149 -0.052651
C 3.575583 -0.815490 -0.426978
C -0.991779 -1.169914 -0.639257
C 4.980275 -0.381399 -0.210223
C 5.875043 -1.334999 0.306335
C 5.430197 0.902732 -0.543311
C -3.906571 0.856423 0.208928
C -5.290741 0.348739 0.071308
C 7.214120 -0.994098 0.499709
C 6.776005 1.233520 -0.353374
C 7.664616 0.290121 0.169811
C -6.342450 1.264684 0.247568
C -5.563583 -0.996019 -0.221634
C -7.663500 0.830280 0.128773
C -6.888741 -1.422318 -0.338187
C -7.936136 -0.511291 -0.163684
H 0.916319 -2.097259 -1.117933
H -1.447681 1.897377 0.935813
H 1.425061 2.788474 1.390078
H -1.616147 -1.964452 -1.048080
H 5.519683 -2.338363 0.549659
H 4.737324 1.645866 -0.943972
H 7.908870 -1.728419 0.905036
H 7.127900 2.231819 -0.610600
H 8.711530 0.553469 0.321139
H -6.117138 2.310006 0.476854
H -4.738128 -1.700193 -0.356273
H -8.481975 1.536556 0.264235
H -7.105254 -2.465608 -0.565229
H -8.969583 -0.847432 -0.255630


%chk=000215748-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215748

0 1
O -3.059735 -0.194420 -0.079813
O 3.271575 -1.931373 -0.379655
O -3.696778 2.024053 0.385212
N 2.532064 0.201973 0.033346
N 2.718483 1.584665 0.304141
C 1.150737 -0.111232 -0.037082
C 0.453451 1.115536 0.198283
C 0.451116 -1.317934 -0.277108
C -0.961926 1.179365 0.202616
C 1.485366 2.107816 0.398341
C -1.644352 -0.029170 -0.037506
C 3.603011 -0.731270 -0.141001
C -0.951562 -1.253233 -0.272912
C 5.045240 -0.325801 -0.048311
C 5.972040 -1.391699 -0.246533
C 5.547447 0.980934 0.211521
C -4.002345 0.834966 0.134455
C -5.391918 0.310482 0.021597
C 7.358755 -1.162451 -0.187072
C 6.940332 1.202434 0.269477
C 7.850231 0.139428 0.072128
C -6.457391 1.229319 0.217116
C -5.675451 -1.050229 -0.268641
C -7.793194 0.790825 0.123625
C -7.014523 -1.483417 -0.361156
C -8.074540 -0.566161 -0.165585
H 0.985327 -2.250420 -0.455687
H -1.498962 2.110068 0.382901
H 1.371214 3.171227 0.604915
H -1.547648 -2.153010 -0.451876
H 5.573357 -2.391353 -0.445432
H 4.846172 1.801385 0.363880
H 8.055249 -1.993535 -0.341675
H 7.314649 2.212342 0.470061
H 8.929918 0.321360 0.119142
H -6.215819 2.273814 0.439871
H -4.849088 -1.749721 -0.417915
H -8.612975 1.500987 0.275092
H -7.233222 -2.533002 -0.584919
H -9.113505 -0.906649 -0.237944


