%chk=000212389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212389

0 1
O 3.447560 0.345690 -1.301378
O 3.177640 1.989850 0.263090
N -1.019521 0.392414 -0.890996
N 1.558091 1.645794 -1.395791
N -4.323773 -0.772670 0.501605
C -0.437925 1.353702 0.103649
C 0.074954 -0.374153 -1.574085
C -1.992441 -0.539958 -0.232967
C 0.491000 2.346955 -0.622156
C 1.001534 0.612664 -2.313582
C -3.347269 0.192251 -0.097668
C 2.743126 1.367726 -0.685816
C -4.975988 -1.617200 -0.552836
C -5.307154 -0.097038 1.396564
C -5.576930 -2.874944 0.076887
C -6.220970 0.941980 0.740131
C 4.804382 0.100291 -0.812864
C 4.738465 -0.711150 0.476634
C 6.128769 -1.209760 0.887492
C 6.073630 -2.013636 2.184154
H 0.112389 0.849757 0.927808
H -1.276347 1.913007 0.573704
H -0.392791 -1.058203 -2.315094
H 0.669017 -1.004612 -0.877985
H -1.658950 -0.906734 0.761134
H -2.124261 -1.445055 -0.864625
H 0.958323 3.047741 0.106942
H -0.088471 2.957707 -1.352248
H 1.832276 0.066503 -2.814165
H 0.431818 1.154709 -3.104191
H -3.663351 0.591442 -1.084891
H -3.229107 1.075299 0.565561
H -5.755763 -1.066147 -1.122398
H -4.196746 -1.915141 -1.289913
H -5.924752 -0.893263 1.870487
H -4.729819 0.375246 2.222855
H -5.877903 -3.593299 -0.692135
H -6.458650 -2.646747 0.685781
H -4.850325 -3.369816 0.735347
H -6.912537 1.373441 1.471812
H -6.826593 0.500479 -0.059494
H -5.653139 1.768713 0.300729
H 5.230089 -0.459945 -1.664500
H 5.319040 1.068124 -0.681768
H 4.300236 -0.084517 1.283143
H 4.042420 -1.562878 0.350059
H 6.562971 -1.832586 0.080701
H 6.815184 -0.348301 1.013299
H 5.681524 -1.413320 3.014011
H 7.070449 -2.363238 2.476047
H 5.430985 -2.896073 2.087218


%chk=000212389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212389

0 1
O 3.680031 0.160356 -1.202500
O 3.313505 1.905328 0.338567
N -1.188968 0.002390 -0.629066
N 1.532730 0.897306 -0.811999
N -4.839497 -0.633248 0.319094
C -0.621590 0.911849 0.399646
C -0.131957 -0.896364 -1.158550
C -2.382850 -0.739246 -0.148720
C 0.511604 1.767084 -0.197332
C 1.011983 -0.077174 -1.790066
C -3.645996 0.152498 -0.080082
C 2.861579 1.061418 -0.486169
C -5.477161 -1.341080 -0.818406
C -5.771103 0.088000 1.220831
C -6.442665 -2.458059 -0.378725
C -6.551929 1.280543 0.600268
C 5.129296 0.225949 -0.870598
C 5.465172 -0.639405 0.351447
C 6.983749 -0.649512 0.646871
C 7.338552 -1.518624 1.872746
H -0.224539 0.336811 1.275363
H -1.414268 1.585675 0.769616
H -0.577242 -1.547912 -1.933139
H 0.293093 -1.553841 -0.357005
H -2.222163 -1.204477 0.854355
H -2.571527 -1.567428 -0.857749
H 1.001806 2.376788 0.578399
H 0.089928 2.439359 -0.971620
H 1.831800 -0.733492 -2.114556
H 0.615925 0.468668 -2.670635
H -3.766854 0.662479 -1.064816
H -3.493645 0.948394 0.672958
H -6.011339 -0.637246 -1.506297
H -4.666351 -1.796284 -1.417928
H -6.491418 -0.641869 1.634846
H -5.177669 0.453126 2.081216
H -6.793945 -3.026776 -1.259433
H -7.335606 -2.058469 0.134733
H -5.930922 -3.153653 0.309724
H -7.177925 1.768428 1.370800
H -7.220751 0.951899 -0.216104
H -5.862593 2.042162 0.191101
H 5.623410 -0.148849 -1.783355
H 5.406253 1.280852 -0.693197
H 4.918528 -0.246133 1.229284
H 5.112105 -1.674608 0.175107
H 7.532789 -1.022621 -0.242061
H 7.331479 0.389346 0.818154
H 6.828307 -1.146930 2.780828
H 8.426360 -1.513526 2.069185
H 7.026883 -2.568782 1.718268


