%chk=000191051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191051

0 1
O -4.110840 1.070576 1.104819
O 0.504183 -2.545590 -0.576661
N -1.212886 2.508973 -0.457509
C 2.686569 0.557565 -0.403731
C 2.936332 -0.461877 -1.537500
C 2.414267 -0.179442 0.923345
C 1.520942 1.481400 -0.804730
C 4.068689 -1.434515 -1.186410
C 3.548623 -1.152545 1.270561
C 3.787540 -2.158447 0.136853
C 1.184705 2.538429 0.250866
C -0.049465 3.398052 -0.116147
C 0.235840 4.316008 -1.312174
C -1.897177 1.951413 0.744274
C -2.943132 0.905792 0.283492
C -2.446138 -0.527083 0.307219
C -1.164524 -0.827449 -0.166346
C -3.285610 -1.551923 0.763447
C -0.740040 -2.162172 -0.148997
C -2.840159 -2.880240 0.764020
C -1.562962 -3.205079 0.314306
H 3.608132 1.175565 -0.276169
H 3.169546 0.066026 -2.480230
H 2.001916 -1.038414 -1.739332
H 2.289748 0.554711 1.741556
H 1.454725 -0.730442 0.868149
H 0.603339 0.877042 -1.009183
H 1.756865 1.979723 -1.764379
H 4.198650 -2.171781 -2.000833
H 5.026847 -0.884337 -1.116569
H 4.478976 -0.588871 1.474151
H 3.305393 -1.691381 2.205713
H 2.902746 -2.819509 0.028494
H 4.632296 -2.824385 0.391720
H 0.999582 2.044649 1.225907
H 2.053309 3.205084 0.409913
H -0.281921 4.045482 0.773380
H -1.892687 3.024539 -1.028770
H -0.577373 5.027744 -1.487567
H 0.375906 3.739487 -2.236294
H 1.150996 4.897202 -1.153480
H -2.417755 2.724220 1.354156
H -1.139962 1.478980 1.407376
H -3.345961 1.142871 -0.734327
H -3.941708 0.772400 2.021955
H -0.515385 -0.028373 -0.551469
H -4.295637 -1.317708 1.097310
H -3.503156 -3.669559 1.119455
H -1.194536 -4.226958 0.307681
H 1.084155 -1.758753 -0.852710


%chk=000191051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191051

0 1
O -3.789112 1.112522 2.123725
O -0.156239 -2.576454 -1.211972
N -1.225845 2.272121 -0.380039
C 2.902658 0.629588 -0.323719
C 3.538578 -0.237927 -1.442710
C 2.420761 -0.278629 0.838978
C 1.773368 1.522893 -0.903183
C 4.665864 -1.156049 -0.914679
C 3.549804 -1.190543 1.376247
C 4.167001 -2.047351 0.246288
C 1.226070 2.590545 0.071396
C -0.106365 3.259177 -0.373185
C -0.003107 3.907704 -1.769061
C -1.777399 1.930378 0.953222
C -3.020916 1.005990 0.862183
C -2.724645 -0.460418 0.523420
C -1.568112 -0.816111 -0.211873
C -3.617584 -1.478031 0.950136
C -1.302800 -2.174176 -0.497914
C -3.340856 -2.831878 0.647017
C -2.183318 -3.193998 -0.073197
H 3.700315 1.295582 0.078108
H 3.923500 0.415896 -2.250875
H 2.744170 -0.869246 -1.902259
H 2.014304 0.333570 1.667090
H 1.583467 -0.916099 0.479667
H 0.930055 0.880873 -1.232106
H 2.156344 2.020888 -1.817246
H 5.062644 -1.782352 -1.737386
H 5.507674 -0.527488 -0.556150
H 4.342692 -0.559904 1.830685
H 3.157930 -1.842399 2.180956
H 3.398846 -2.751747 -0.136003
H 4.998339 -2.663157 0.641146
H 1.071970 2.140611 1.070998
H 1.981792 3.391020 0.208731
H -0.320635 4.072417 0.367195
H -1.977522 2.581396 -1.014017
H -0.911913 4.495252 -2.001629
H 0.117688 3.139040 -2.552822
H 0.862188 4.592315 -1.818227
H -2.093757 2.834555 1.525961
H -0.992082 1.421660 1.546969
H -3.724167 1.431660 0.117838
H -3.318409 0.580954 2.816820
H -0.908253 -0.013095 -0.566774
H -4.520917 -1.203310 1.503533
H -4.033731 -3.614552 0.976025
H -1.953076 -4.236430 -0.312209
H 0.394540 -1.790164 -1.456496


