%chk=000212701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212701

0 1
O -0.093959 2.790820 -0.554403
O -1.653937 -1.547618 0.472695
N -3.855299 0.900537 0.216189
N 0.928776 0.692050 -0.286282
N 0.452514 -0.597462 0.132447
C -6.263749 0.709523 0.274219
C -5.654155 -0.590721 0.829529
C -5.109185 1.716512 0.149443
C -4.142722 -0.519942 0.571615
C -2.652442 1.438502 -0.037179
C -1.411827 0.823271 -0.027583
C -0.208163 1.613771 -0.298662
C -1.012757 -0.553336 0.204475
C 2.209698 1.119136 0.241364
C 1.120297 -1.752235 -0.435499
C 2.734531 2.324012 -0.266863
C 0.774423 -3.010614 0.095205
C 2.940093 0.358747 1.169932
C 2.109164 -1.644330 -1.428001
C 3.993712 2.750353 0.154401
C 1.430691 -4.150283 -0.369404
C 4.202098 0.801398 1.572702
C 2.758328 -2.797776 -1.873394
C 4.733231 1.992275 1.069108
C 2.424949 -4.049998 -1.348750
H -6.734251 0.528698 -0.710258
H -7.061000 1.092916 0.934590
H -5.862228 -0.690895 1.910981
H -6.098237 -1.479956 0.347626
H -5.156240 2.282845 -0.804278
H -5.119529 2.453013 0.982884
H -3.541576 -0.822148 1.460864
H -3.819194 -1.189303 -0.259595
H -2.642563 2.526577 -0.286606
H 2.152872 2.923882 -0.971621
H -0.010231 -3.091160 0.851244
H 2.533685 -0.567258 1.576770
H 2.372516 -0.674314 -1.850357
H 4.401861 3.682454 -0.234885
H 1.164615 -5.125245 0.037168
H 4.772899 0.211021 2.288516
H 3.529117 -2.716432 -2.638964
H 5.715986 2.329917 1.388256
H 2.934887 -4.942906 -1.701442


%chk=000212701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212701

0 1
O -0.198634 2.792325 -0.428090
O -1.683298 -1.773928 0.258816
N -3.941962 0.858822 0.195780
N 0.871976 0.666231 -0.201008
N 0.418927 -0.679920 0.043484
C -6.332594 0.779223 0.159338
C -5.806417 -0.333666 1.102655
C -5.138254 1.752381 0.070858
C -4.331386 -0.505124 0.676976
C -2.698339 1.313579 -0.058133
C -1.446279 0.691528 -0.034887
C -0.263361 1.538132 -0.262620
C -1.019011 -0.700580 0.134902
C 2.173885 1.077564 0.245550
C 1.189162 -1.785464 -0.459783
C 2.724864 2.277477 -0.275196
C 0.961796 -3.078471 0.078128
C 2.898632 0.312431 1.194831
C 2.157091 -1.596967 -1.479336
C 3.993208 2.707074 0.169031
C 1.696633 -4.175628 -0.419295
C 4.172176 0.749779 1.615966
C 2.893329 -2.702533 -1.954446
C 4.727209 1.947352 1.109411
C 2.667893 -3.996795 -1.431645
H -6.557683 0.360206 -0.838129
H -7.241689 1.273682 0.539135
H -5.867358 -0.001241 2.155293
H -6.369869 -1.276292 1.009533
H -5.101645 2.314108 -0.878271
H -5.150713 2.477723 0.908124
H -3.663241 -0.823055 1.491066
H -4.210080 -1.234788 -0.141324
H -2.644956 2.381040 -0.322656
H 2.152046 2.866119 -0.994449
H 0.207924 -3.214668 0.855664
H 2.469610 -0.607328 1.600945
H 2.327315 -0.600403 -1.895444
H 4.410378 3.638543 -0.229645
H 1.511792 -5.173384 -0.005886
H 4.728318 0.151990 2.346704
H 3.642373 -2.549252 -2.739314
H 5.716082 2.282138 1.440887
H 3.241852 -4.851662 -1.805324


