%chk=000213596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213596

0 1
N 2.049544 1.012764 -0.457675
N -2.340613 -0.778865 -0.029155
N -0.114471 0.035785 -0.187719
N 0.323685 2.398172 0.334719
N -1.963319 1.511004 0.483521
N -1.464056 3.731858 1.123285
C 2.684207 -0.315172 -0.698106
C 3.930078 -0.108460 -1.584563
C 3.040818 -1.020474 0.627786
C 5.101122 0.540362 -0.836164
C 4.205306 -0.347003 1.360962
C 5.436617 -0.218957 0.454341
C 0.724028 1.130783 -0.081660
C -1.878476 -2.123460 -0.466828
C -3.786890 -0.608298 0.275668
C -1.458503 0.273160 0.090563
C -1.416142 -2.962948 0.737311
C -4.562495 -0.165608 -0.977492
C -1.023529 2.515779 0.618542
C -1.056496 -4.381285 0.308493
C -6.059976 -0.100997 -0.697482
H 1.939763 -0.951746 -1.253621
H 4.242167 -1.096401 -1.976674
H 3.665001 0.499443 -2.471760
H 2.145096 -1.054493 1.279970
H 3.293113 -2.075872 0.410124
H 5.989594 0.573628 -1.495281
H 4.863873 1.595494 -0.600155
H 3.895647 0.652746 1.722330
H 4.462292 -0.927729 2.266987
H 6.251238 0.298150 0.994805
H 5.824731 -1.225523 0.206332
H 2.672259 1.786666 -0.218346
H -2.710203 -2.626665 -1.005449
H -1.040121 -2.012221 -1.195946
H -4.182327 -1.569482 0.668945
H -3.912089 0.149844 1.086483
H -0.538886 -2.470979 1.207962
H -2.202134 -2.985819 1.515965
H -4.359651 -0.853002 -1.820451
H -4.191100 0.829302 -1.302308
H -1.913713 -4.907245 -0.126533
H -0.251711 -4.386463 -0.436400
H -0.710079 -4.973507 1.163903
H -6.465464 -1.076940 -0.408517
H -6.289362 0.605537 0.109585
H -6.610791 0.232322 -1.585119
H -0.856657 4.533489 1.040384
H -2.456821 3.908926 1.151138


%chk=000213596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213596

0 1
N 2.037566 1.010323 -0.373405
N -2.312736 -0.756207 -0.005520
N -0.110415 0.063280 -0.181198
N 0.301487 2.436175 0.253258
N -1.966522 1.534941 0.425191
N -1.509386 3.787908 0.859927
C 2.667819 -0.264747 -0.768978
C 3.952410 0.021874 -1.586111
C 2.989016 -1.160878 0.461230
C 5.095943 0.604340 -0.716797
C 4.119204 -0.568742 1.334399
C 5.396527 -0.306117 0.498829
C 0.702375 1.162286 -0.093294
C -1.828728 -2.097668 -0.389770
C -3.750804 -0.578256 0.282454
C -1.442093 0.308226 0.080559
C -1.387764 -2.954112 0.821624
C -4.575613 -0.193114 -0.968920
C -1.040945 2.544365 0.502656
C -0.939989 -4.366822 0.390825
C -6.080605 -0.072170 -0.648768
H 1.932474 -0.796993 -1.400383
H 4.295018 -0.935789 -2.025826
H 3.716052 0.699066 -2.429637
H 2.062650 -1.300609 1.047906
H 3.295692 -2.160463 0.088308
H 6.004489 0.731289 -1.336484
H 4.828459 1.619808 -0.354640
H 3.771270 0.382574 1.786364
H 4.345844 -1.253515 2.174284
H 6.183719 0.148864 1.130866
H 5.797244 -1.274940 0.133966
H 2.600123 1.857141 -0.282823
H -2.644290 -2.610323 -0.937288
H -0.973541 -1.976060 -1.075953
H -4.132548 -1.526429 0.710235
H -3.857128 0.213390 1.043321
H -0.557732 -2.428957 1.330217
H -2.221486 -3.025823 1.548406
H -4.418314 -0.949201 -1.763997
H -4.187835 0.768440 -1.353293
H -1.763180 -4.917041 -0.103986
H -0.095003 -4.313377 -0.321524
H -0.610355 -4.964573 1.259720
H -6.491946 -1.030726 -0.278277
H -6.260177 0.693992 0.128875
H -6.657847 0.217216 -1.545475
H -0.854318 4.561862 0.923793
H -2.499980 3.905891 1.051834


