%chk=000218047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218047

0 1
O 7.285576 2.351352 -0.265926
N 5.540887 0.111463 0.057242
N 2.660679 -2.226339 0.852351
N 1.182754 -0.366215 0.530834
N 0.014007 0.141511 0.317504
C 5.093299 1.498685 0.417204
C 6.510453 0.175808 -1.086397
C 4.366350 -0.754432 -0.282348
C 6.326634 2.323480 0.812812
C 7.713318 1.030313 -0.652284
C 3.790140 -1.285029 1.050049
C 1.403242 -1.737374 0.473516
C 0.326423 -2.623686 0.132141
C -1.065152 -0.642443 0.011229
C -2.363832 0.024905 -0.211674
C -0.916872 -2.047387 -0.093990
C -4.782613 0.130763 0.066101
C -4.821996 1.327630 -0.695762
C -3.526847 -0.510159 0.300240
C 0.531634 -4.095692 0.034347
C -2.403879 1.239982 -0.968688
C -3.598531 1.869220 -1.204151
C -6.004794 -0.407236 0.583499
C -6.081803 1.964348 -0.931683
C -7.198695 0.224707 0.342485
C -7.238102 1.425614 -0.425663
H 4.387075 1.430960 1.273582
H 4.547566 2.005273 -0.408574
H 6.063484 0.600029 -2.011030
H 6.848981 -0.855044 -1.321055
H 3.573642 -0.221244 -0.853133
H 4.697610 -1.603044 -0.915580
H 6.088901 3.393365 0.945393
H 6.816997 1.922342 1.717029
H 8.258570 0.568686 0.189919
H 8.401243 1.238355 -1.489913
H 4.578009 -1.819234 1.628130
H 3.452003 -0.433215 1.688572
H 2.926770 -3.121044 0.443350
H -1.776847 -2.662361 -0.360130
H -3.510575 -1.418679 0.900083
H 0.901122 -4.511769 0.985280
H -0.398620 -4.632919 -0.201430
H 1.252892 -4.356642 -0.753117
H -1.464490 1.654544 -1.339212
H -3.635752 2.794333 -1.778442
H -5.965045 -1.322926 1.170885
H -6.101255 2.882032 -1.517587
H -8.132565 -0.176784 0.732493
H -8.200696 1.903599 -0.599498


%chk=000218047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218047

0 1
O 6.933516 2.572719 -0.624860
N 5.478919 0.109756 -0.136840
N 2.748774 -2.343182 0.828334
N 1.357102 -0.470570 0.562358
N 0.132219 0.100267 0.380070
C 4.800064 1.433091 -0.064561
C 6.592993 0.160076 -1.116154
C 4.528363 -1.003257 -0.355108
C 5.813548 2.515959 0.333479
C 7.589315 1.257465 -0.702078
C 3.920105 -1.466799 0.995327
C 1.476791 -1.848503 0.605183
C 0.346574 -2.728114 0.440657
C -0.990032 -0.682256 0.222870
C -2.271401 0.048129 0.029587
C -0.888577 -2.107807 0.245071
C -4.733766 0.111726 -0.230038
C -4.694082 1.555247 -0.346511
C -3.510823 -0.608920 -0.043142
C 0.515229 -4.230326 0.480965
C -2.246454 1.485258 -0.084134
C -3.419143 2.210178 -0.266501
C -6.003386 -0.553595 -0.304882
C -5.918569 2.274384 -0.534222
C -7.182515 0.173071 -0.488271
C -7.140826 1.599494 -0.604337
H 3.978544 1.390498 0.672694
H 4.346153 1.700403 -1.051199
H 6.228932 0.373724 -2.152905
H 7.109961 -0.818585 -1.128382
H 3.694947 -0.715041 -1.037484
H 5.068037 -1.846762 -0.827439
H 5.356396 3.518843 0.309045
H 6.204423 2.306410 1.352599
H 8.028875 0.999114 0.285982
H 8.392511 1.371765 -1.449193
H 4.685410 -2.000402 1.586043
H 3.601797 -0.579477 1.565850
H 2.887531 -3.351887 0.812273
H -1.778031 -2.729838 0.105345
H -3.577034 -1.699600 0.048872
H 0.926000 -4.566651 1.453859
H -0.450278 -4.741965 0.333384
H 1.203755 -4.585784 -0.311858
H -1.273159 1.978414 -0.018845
H -3.379953 3.302852 -0.352188
H -6.036283 -1.646561 -0.216197
H -5.882831 3.367068 -0.621530
H -8.145943 -0.345664 -0.544277
H -8.072401 2.158035 -0.747709


