%chk=000213637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213637

0 1
O 6.810711 -0.350830 -0.363142
N 1.255915 0.958098 -0.106001
N 4.609803 -0.661404 0.146072
N -4.603151 1.237323 0.582087
C 4.172989 0.622316 -0.467599
C 3.564007 1.553658 0.598524
C 3.155384 0.364054 -1.595389
C 2.176278 1.096670 1.070721
C 1.777762 -0.064452 -1.070502
C -0.131432 0.613197 0.349792
C -1.134369 0.954996 -0.771333
C -2.528924 0.803920 -0.286123
C -3.280064 -0.431750 -0.267593
C -3.347744 1.798861 0.234119
C -4.575557 -0.135439 0.277758
C 5.950845 -1.052103 0.144395
C -2.990827 -1.751186 -0.655635
C -3.089905 3.239197 0.442506
C -5.564397 -1.124332 0.436523
C 6.232545 -2.375359 0.803634
C -3.966283 -2.723623 -0.498075
C -5.239268 -2.412123 0.042460
H 5.088328 1.115807 -0.904667
H 3.482393 2.571600 0.163513
H 4.244703 1.642555 1.465676
H 3.543097 -0.397479 -2.297407
H 3.044981 1.298875 -2.183693
H 1.749228 1.870739 1.746365
H 2.261805 0.163143 1.666432
H 1.832810 -1.083743 -0.632310
H 1.063710 -0.122542 -1.922590
H -0.247711 -0.449167 0.651234
H -0.376058 1.222907 1.247212
H -0.964099 0.304188 -1.653795
H -0.946617 1.988462 -1.133362
H 3.889223 -1.234039 0.566299
H -5.379072 1.736890 0.967015
H -2.015849 -1.991115 -1.071967
H -2.030326 3.482180 0.255944
H -3.685222 3.863291 -0.241172
H -3.312718 3.559682 1.470149
H -6.537089 -0.882189 0.849299
H 7.312334 -2.593148 0.749960
H 5.957077 -2.380665 1.865224
H 5.713477 -3.206560 0.310953
H -3.763342 -3.750720 -0.792946
H -5.972184 -3.210939 0.145535


%chk=000213637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213637

0 1
O 6.632290 -0.180359 0.604099
N 1.324508 1.013348 -0.211433
N 4.544344 -0.820092 -0.187090
N -4.612992 1.197461 0.703985
C 4.210276 0.522358 -0.717683
C 3.705077 1.472987 0.399672
C 3.136439 0.409028 -1.822171
C 2.309257 1.063885 0.904028
C 1.748656 0.045031 -1.249528
C -0.054363 0.760740 0.279187
C -1.150834 1.145182 -0.751097
C -2.544210 0.903789 -0.223113
C -3.209655 -0.387684 -0.141357
C -3.429271 1.852847 0.303332
C -4.507725 -0.172864 0.443554
C 5.747429 -1.078756 0.446821
C -2.837304 -1.706097 -0.515457
C -3.284752 3.338574 0.474237
C -5.424056 -1.223935 0.661500
C 5.945946 -2.511707 0.938299
C -3.747343 -2.761060 -0.302928
C -5.026686 -2.523286 0.280902
H 5.149355 0.933708 -1.130715
H 3.652414 2.498605 -0.012788
H 4.431944 1.477523 1.231273
H 3.441057 -0.337487 -2.580649
H 3.055310 1.389567 -2.325518
H 1.951185 1.800148 1.647021
H 2.377806 0.074275 1.429852
H 1.759126 -1.005150 -0.837546
H 1.010826 0.046467 -2.070685
H -0.195661 -0.307160 0.586836
H -0.206688 1.373371 1.187728
H -1.010181 0.560011 -1.680798
H -1.000615 2.205820 -1.024230
H 3.850000 -1.564233 -0.270371
H -5.422929 1.661939 1.109060
H -1.857523 -1.901997 -0.966971
H -2.329457 3.682399 0.045740
H -4.097468 3.893039 -0.034284
H -3.296373 3.636500 1.541079
H -6.409361 -1.046136 1.107553
H 6.107996 -2.499909 2.030116
H 5.097443 -3.180709 0.710635
H 6.859746 -2.925573 0.478174
H -3.473156 -3.782824 -0.589052
H -5.712632 -3.363879 0.434881


