%chk=000211964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211964

0 1
O 0.235510 -1.658942 0.741985
O 0.295467 1.818467 -1.629111
O 5.234516 2.641967 -2.213896
O 4.891974 -0.952380 1.009978
O 6.483646 0.903177 -0.261131
N -1.546077 -0.295495 0.413604
N -4.323214 0.321389 1.100101
N -6.356488 -0.915295 1.196406
N -6.250920 1.239217 0.017982
C -2.353930 0.636000 -0.419447
C -2.119461 -0.668000 1.736397
C -3.446799 1.314792 0.423906
C -3.633936 -0.895260 1.631793
C -0.360526 -0.884924 -0.000942
C -5.661146 0.200780 0.734428
C 0.179796 -0.537401 -1.373447
C 0.902993 0.802353 -1.373833
C 2.370003 0.781021 -1.079208
C 2.894867 -0.130205 -0.151763
C 3.187781 1.693399 -1.736556
C -7.688699 -0.943960 0.961381
C -7.584985 1.157055 -0.189106
C 4.578961 1.689572 -1.481953
C 4.265033 -0.114816 0.118805
C -8.357597 0.079347 0.272059
C 5.135653 0.788140 -0.552636
C 6.669682 2.784163 -2.044099
C 4.064219 -1.896518 1.741504
C 7.236918 -0.339403 -0.319122
H -1.688624 1.422083 -0.863056
H -2.813606 0.074517 -1.264588
H -1.618666 -1.596713 2.109258
H -1.884969 0.136470 2.471199
H -2.993725 1.950120 1.221963
H -4.042949 2.006501 -0.221251
H -4.062774 -1.117654 2.638768
H -3.855299 -1.783805 0.994330
H -0.620927 -0.528678 -2.142124
H 0.870817 -1.354184 -1.688321
H 2.233981 -0.831605 0.366318
H 2.781048 2.422227 -2.440226
H -8.222211 -1.826147 1.339254
H -8.034257 1.987833 -0.749288
H -9.425706 0.037225 0.098413
H 7.176503 1.880981 -2.393983
H 6.881806 3.649158 -2.682728
H 6.908485 2.983843 -0.992538
H 3.327746 -1.363175 2.351455
H 3.582598 -2.596461 1.051923
H 4.808372 -2.399996 2.370192
H 8.261129 0.012865 -0.157959
H 6.915665 -1.006225 0.491541
H 7.118219 -0.813023 -1.295130


%chk=000211964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211964

0 1
O 0.391169 -1.758862 0.857691
O 0.414625 1.042599 -2.549642
O 5.204073 2.678499 -2.067291
O 4.952029 -1.178373 0.927818
O 6.434551 0.958028 -0.201510
N -1.470468 -0.537598 0.179685
N -4.197298 0.262630 0.718029
N -6.256964 -0.375945 1.655036
N -6.123311 1.409515 -0.033046
C -2.300889 0.122873 -0.870180
C -2.020461 -0.552482 1.558869
C -3.350515 1.035120 -0.213873
C -3.539994 -0.772332 1.551842
C -0.270047 -1.175001 -0.066880
C -5.561520 0.440028 0.778493
C 0.256526 -1.153238 -1.517294
C 1.012703 0.150136 -1.870024
C 2.417544 0.319795 -1.410398
C 3.008784 -0.583912 -0.486536
C 3.161580 1.429288 -1.884796
C -7.600631 -0.177537 1.714870
C -7.470370 1.559722 0.058894
C 4.494039 1.619620 -1.476318
C 4.330024 -0.378343 -0.045344
C -8.275009 0.788477 0.931794
C 5.111151 0.701125 -0.569677
C 5.815356 3.671485 -1.156313
C 4.143151 -2.250951 1.529312
C 7.403919 -0.162150 -0.220835
H -1.661519 0.722144 -1.540718
H -2.819632 -0.645033 -1.480464
H -1.516244 -1.362984 2.109791
H -1.773340 0.398988 2.070082
H -2.848875 1.869960 0.316117
H -4.006154 1.479595 -0.978658
H -3.936527 -0.720631 2.580644
H -3.785229 -1.782881 1.168676
H -0.567461 -1.250954 -2.242129
H 0.920779 -2.026255 -1.614482
H 2.409727 -1.394791 -0.062701
H 2.707352 2.132508 -2.587919
H -8.145016 -0.823190 2.413997
H -7.908773 2.326055 -0.591003
H -9.355996 0.929102 0.994530
H 6.544031 3.191792 -0.482760
H 6.315045 4.394004 -1.819225
H 5.028471 4.183206 -0.568814
H 3.218799 -1.849305 1.983454
H 3.877826 -3.018998 0.778318
H 4.788927 -2.690040 2.303686
H 8.371907 0.305044 0.014745
H 7.136627 -0.921555 0.529696
H 7.437423 -0.613600 -1.229740


