%chk=000200411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200411

0 1
O -3.783575 0.527977 0.407194
N 1.433984 1.458372 -0.218623
N 4.050343 0.255104 0.122499
C 1.611670 0.192875 0.566295
C 2.665653 2.303463 -0.078948
C 2.819283 -0.588715 0.012436
C 3.878671 1.532195 -0.637851
C 0.217609 2.212033 0.234454
C -1.033613 1.534172 -0.348857
C 5.309809 -0.401252 0.033305
C -2.303379 2.315097 0.005685
C -3.559009 1.631197 -0.529229
C 5.433386 -1.768896 0.376718
C 6.481767 0.328648 -0.278339
C 6.688581 -2.372029 0.412329
C 7.727297 -0.294163 -0.236606
C 7.842877 -1.645275 0.104262
C -4.897916 -0.253029 0.087779
C -4.732135 -1.373729 -0.749600
C -6.131177 0.049808 0.698256
C -5.843841 -2.196731 -0.981871
C -7.221163 -0.795314 0.444757
C -3.410801 -1.685548 -1.367034
C -6.273277 1.231280 1.597436
C -7.075875 -1.905058 -0.391430
H 0.693214 -0.423095 0.448840
H 1.748888 0.374428 1.655066
H 2.866867 2.607614 0.971567
H 2.523421 3.231042 -0.673948
H 2.626137 -0.889175 -1.041870
H 2.954125 -1.520761 0.606937
H 4.792643 2.158077 -0.523510
H 3.737316 1.341354 -1.725577
H 0.137499 2.286395 1.340062
H 0.283356 3.253695 -0.149131
H -1.124238 0.496060 0.032940
H -0.924316 1.440839 -1.447564
H -2.391510 2.406423 1.109717
H -2.249443 3.347524 -0.389574
H -4.442010 2.291606 -0.501312
H -3.433827 1.215544 -1.542349
H 4.551074 -2.352811 0.630103
H 6.418999 1.383310 -0.537263
H 6.769086 -3.424781 0.682727
H 8.621663 0.281305 -0.474859
H 8.816520 -2.123626 0.131182
H -5.743183 -3.068930 -1.624270
H -8.184316 -0.584855 0.904634
H -3.412486 -1.473406 -2.444600
H -2.601846 -1.091807 -0.910418
H -3.144114 -2.743497 -1.239617
H -6.784007 0.968236 2.533744
H -5.290275 1.647152 1.873190
H -6.852747 2.031353 1.118199
H -7.931163 -2.551894 -0.581763


%chk=000200411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200411

0 1
O -3.758834 0.412130 0.265501
N 1.487916 1.429608 -0.352660
N 4.120362 0.262256 0.048755
C 1.665802 0.191438 0.443487
C 2.688405 2.285784 -0.192344
C 2.915423 -0.587452 -0.005562
C 3.945364 1.544065 -0.673367
C 0.237889 2.161474 -0.026244
C -1.039868 1.421609 -0.469607
C 5.401260 -0.341309 0.122730
C -2.301787 2.287498 -0.259607
C -3.598009 1.571666 -0.647277
C 5.565745 -1.760766 0.092211
C 6.580343 0.453787 0.274570
C 6.842463 -2.347421 0.225314
C 7.849534 -0.143768 0.396271
C 7.998897 -1.551115 0.377087
C -4.971689 -0.316303 0.090536
C -5.010004 -1.389964 -0.840569
C -6.082863 0.016740 0.913673
C -6.212011 -2.134078 -0.944841
C -7.264348 -0.752726 0.777682
C -3.796895 -1.735627 -1.685025
C -5.990602 1.153845 1.914196
C -7.334078 -1.816788 -0.148961
H 0.784364 -0.459631 0.311282
H 1.760149 0.426744 1.535532
H 2.833977 2.595649 0.874877
H 2.556516 3.200049 -0.800827
H 2.746947 -0.986237 -1.033157
H 3.044841 -1.442469 0.680078
H 4.823203 2.189372 -0.517115
H 3.850009 1.356200 -1.767509
H 0.169666 2.390238 1.070667
H 0.283498 3.136151 -0.552636
H -1.169255 0.480910 0.096084
H -0.936994 1.152133 -1.539418
H -2.375511 2.596244 0.802043
H -2.227736 3.215215 -0.864002
H -4.473827 2.244588 -0.539731
H -3.558806 1.211182 -1.696855
H 4.703458 -2.416330 -0.058025
H 6.507091 1.544538 0.328619
H 6.930183 -3.440100 0.195678
H 8.729746 0.498457 0.519371
H 8.987758 -2.010712 0.475454
H -6.260270 -2.971474 -1.651562
H -8.130193 -0.516619 1.407941
H -3.787939 -1.166243 -2.635475
H -2.863605 -1.493946 -1.148940
H -3.790936 -2.807875 -1.946827
H -6.784274 1.074600 2.676765
H -5.008270 1.155842 2.416642
H -6.101590 2.139640 1.420988
H -8.254120 -2.404897 -0.239591


