%chk=000180042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180042

0 1
O 6.036521 -0.303927 -0.858932
N -3.250896 -2.286850 -0.117166
N -2.521436 1.694107 0.937716
C 0.697798 0.242744 0.702330
C 0.259660 -1.040116 0.592980
C 1.383309 -1.957257 0.125054
C 2.122986 0.303866 0.324924
C -0.061365 1.457454 1.153018
C 2.546922 -1.013287 -0.027536
C -1.094070 -1.590816 0.857886
C -1.873532 -1.800859 -0.456976
C 3.017487 1.368814 0.275254
C -0.340429 1.376679 2.657807
C 3.846340 -1.273241 -0.431293
C -1.316869 1.634438 0.310241
C 4.722733 -0.170597 -0.472453
C 4.336122 1.133919 -0.129708
C -1.202389 1.749475 -1.094636
C -3.273100 -3.770431 0.047981
C -4.232341 -1.865527 -1.160582
C -2.357475 1.916990 -1.855500
C -3.639381 1.850437 0.179650
C -3.602893 1.964533 -1.217536
H 1.128597 -2.464343 -0.823252
H 1.590494 -2.753196 0.864360
H 0.568664 2.372893 0.972038
H -1.680494 -0.906746 1.517238
H -1.027245 -2.542198 1.422359
H -1.943546 -0.825391 -0.988884
H -1.319524 -2.487068 -1.129654
H 2.703323 2.375309 0.548505
H 0.587554 1.254283 3.225070
H -0.852905 2.278672 3.014891
H -0.999736 0.530855 2.898235
H 4.173014 -2.269644 -0.699076
H 5.064938 1.939049 -0.181664
H -0.223371 1.698595 -1.566496
H -3.032682 -4.343128 -0.859166
H -4.274328 -4.073928 0.394029
H -2.559770 -4.055049 0.837718
H -4.251973 -0.763080 -1.203773
H -5.239443 -2.192766 -0.856443
H -4.034274 -2.252229 -2.170104
H -2.292935 2.010773 -2.939143
H -4.585913 1.881237 0.731873
H 6.265206 -1.237485 -1.083856
H -4.517554 2.093834 -1.787429


%chk=000180042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180042

0 1
O 6.156492 -0.424081 -0.839656
N -3.300970 -2.344583 -0.299157
N -2.527534 1.623449 1.029888
C 0.712032 0.257105 0.668355
C 0.235094 -1.034620 0.549357
C 1.358878 -1.962638 0.082804
C 2.149689 0.279042 0.310754
C -0.036892 1.507133 1.135526
C 2.557736 -1.041553 -0.045984
C -1.159150 -1.558918 0.797839
C -1.912850 -1.880422 -0.524702
C 3.090163 1.335614 0.278138
C -0.235609 1.509875 2.671720
C 3.877596 -1.317173 -0.434024
C -1.342467 1.724997 0.356115
C 4.808671 -0.244515 -0.462906
C 4.421904 1.069959 -0.109872
C -1.297623 2.029566 -1.032012
C -3.379057 -3.697067 0.286313
C -4.131414 -2.221853 -1.514261
C -2.501057 2.231444 -1.738067
C -3.687901 1.811030 0.334526
C -3.729558 2.116540 -1.043047
H 1.108626 -2.457474 -0.878134
H 1.535343 -2.777961 0.814165
H 0.610199 2.373736 0.887146
H -1.770641 -0.832918 1.359028
H -1.094888 -2.480407 1.411681
H -1.959276 -0.952518 -1.124182
H -1.323688 -2.627632 -1.121254
H 2.806466 2.358216 0.552633
H 0.741696 1.402611 3.175694
H -0.710621 2.449844 3.002896
H -0.890719 0.682426 2.987843
H 4.188767 -2.334499 -0.708234
H 5.175491 1.862308 -0.144958
H -0.328545 2.099240 -1.538603
H -2.931362 -4.487081 -0.372038
H -4.436743 -3.960693 0.465758
H -2.857982 -3.726472 1.258212
H -4.125501 -1.172925 -1.861003
H -5.175271 -2.499785 -1.280228
H -3.785664 -2.870281 -2.360778
H -2.484586 2.473498 -2.806462
H -4.611643 1.708149 0.915718
H 6.332843 -1.371413 -1.062758
H -4.688676 2.263498 -1.549891


