%chk=000206508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206508

0 1
O -5.499959 -0.047046 -0.001554
O -4.581821 2.139188 0.000801
O 0.489623 2.453102 0.007006
N 0.033846 0.212280 0.005068
C -0.822035 -1.928996 0.002861
C 0.340389 -1.176736 0.004664
C -0.533844 -3.388388 0.002246
C 1.583896 -1.994698 0.005469
C 1.027196 -3.453343 0.003984
C -1.947755 -1.037389 0.001981
C -1.403578 0.295351 0.003382
C -3.343422 -1.260953 0.000240
C -2.206304 1.459143 0.003116
C 0.930203 1.325595 0.006889
C -4.110038 -0.122125 0.000007
C -3.555561 1.203713 0.001419
C 2.382432 0.981068 0.008536
C -5.832444 1.377467 -0.001083
C 3.067032 0.849828 -1.206720
C 3.063729 0.848055 1.225432
C 4.434261 0.572800 -1.203405
C 4.430996 0.571020 1.225427
C 5.126159 0.431010 0.011868
C 6.592290 0.152584 0.013331
H -0.959852 -3.892082 0.888000
H -0.957895 -3.890984 -0.885021
H 2.216340 -1.799449 -0.879388
H 2.214567 -1.800555 0.891815
H 1.386843 -4.000649 0.889005
H 1.388883 -3.999641 -0.880819
H -3.761469 -2.261527 -0.000833
H -1.775555 2.461274 0.004175
H -6.361193 1.601566 -0.936855
H -6.363323 1.600464 0.933746
H 2.533789 0.967532 -2.151408
H 2.527954 0.964368 2.168854
H 4.967282 0.474506 -2.147844
H 4.961375 0.471345 2.171207
H 6.912532 -0.424110 -0.865274
H 7.165057 1.093762 0.005713
H 6.913873 -0.410550 0.900164


%chk=000206508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206508

0 1
O -5.575777 0.001929 0.000074
O -4.608295 2.201760 0.001008
O 0.513272 2.431927 0.004706
N 0.019969 0.150629 0.003657
C -0.857848 -1.973889 0.002750
C 0.313328 -1.250117 0.003676
C -0.607585 -3.459833 0.002453
C 1.563584 -2.091395 0.004090
C 0.969998 -3.555666 0.003648
C -1.978096 -1.051708 0.002156
C -1.415641 0.275841 0.002708
C -3.388014 -1.245149 0.001235
C -2.210338 1.449420 0.002382
C 0.923399 1.235847 0.004530
C -4.158447 -0.082528 0.000945
C -3.587732 1.214203 0.001505
C 2.398049 0.913672 0.007163
C -5.891473 1.454325 0.000112
C 3.110544 0.816739 -1.212260
C 3.105445 0.813763 1.229255
C 4.506451 0.607842 -1.205354
C 4.501447 0.604917 1.227642
C 5.227087 0.499749 0.012541
C 6.733883 0.311445 0.015217
H -1.043966 -3.958130 0.889653
H -1.042595 -3.957508 -0.885770
H 2.202161 -1.907784 -0.879747
H 2.201495 -1.908056 0.888451
H 1.321966 -4.108957 0.891369
H 1.323353 -4.109030 -0.883477
H -3.840884 -2.238952 0.000799
H -1.777651 2.448407 0.002747
H -6.450356 1.700199 -0.919875
H -6.451473 1.699907 0.919497
H 2.576269 0.909232 -2.164578
H 2.567245 0.903881 2.179587
H 5.044357 0.533338 -2.158182
H 5.035388 0.528104 2.182501
H 7.075043 -0.246543 -0.874387
H 7.253397 1.289336 0.008322
H 7.073539 -0.233368 0.913453


