%chk=000201323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201323

0 1
O 2.225834 1.094826 -0.672057
O -4.363430 1.177980 -1.339897
O -2.219362 1.034825 2.762008
N -3.250715 1.456945 0.702663
N 6.472460 -2.392703 0.347853
C -1.695384 3.121673 -0.340512
C -2.907126 2.893053 0.574524
C -0.385429 2.637234 0.290008
C 0.818273 2.961374 -0.601767
C -3.930951 0.706598 -0.321245
C -2.819925 0.630813 1.800919
C 2.124025 2.406070 -0.036231
C -3.967093 -0.704563 0.197473
C -3.306389 -0.749567 1.457388
C -4.515225 -1.837570 -0.362416
C -3.190777 -1.927783 2.161797
C 3.306036 0.296807 -0.340114
C 3.292477 -0.968202 -0.988326
C -4.397489 -3.050459 0.358574
C -3.751976 -3.094454 1.588483
C 2.184711 -1.327539 -1.939700
C 4.327778 0.654707 0.540140
C 4.327819 -1.858039 -0.722214
C 5.369836 -1.504837 0.167136
C 5.363841 -0.250501 0.796265
C 2.642595 -1.213405 -3.393375
H -1.859457 2.617074 -1.315130
H -1.628626 4.202832 -0.575083
H -2.713544 3.294989 1.596738
H -3.797144 3.424758 0.163695
H -0.254402 3.091564 1.291761
H -0.430884 1.542479 0.464376
H 0.663412 2.529212 -1.616338
H 0.909658 4.054246 -0.748293
H 2.107857 2.272475 1.058010
H 3.000418 3.004176 -0.338287
H -5.022644 -1.807218 -1.327426
H -2.684729 -1.966407 3.127260
H -4.823613 -3.960166 -0.067383
H -3.670528 -4.038764 2.129051
H 1.823519 -2.354466 -1.731369
H 1.310449 -0.658860 -1.771052
H 4.339424 1.622853 1.031323
H 4.343641 -2.826665 -1.217654
H 6.165386 0.032522 1.473295
H 2.964659 -0.189796 -3.624389
H 1.834196 -1.471421 -4.085109
H 3.490863 -1.874915 -3.603103
H 6.971877 -2.274717 1.219434
H 6.260099 -3.368667 0.189198


%chk=000201323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201323

0 1
O 2.075280 1.147292 -0.549697
O -3.934279 1.309740 -1.608692
O -2.211835 0.810821 2.747809
N -3.012206 1.405553 0.583837
N 6.365167 -2.424761 0.411388
C -1.628456 3.365911 -0.169030
C -2.824236 2.863913 0.674911
C -0.273093 2.763249 0.257119
C 0.889924 3.250311 -0.633969
C -3.537857 0.740057 -0.560728
C -2.673442 0.489266 1.624898
C 2.230492 2.587632 -0.300530
C -3.515824 -0.721574 -0.224647
C -2.998272 -0.871540 1.084946
C -3.910506 -1.830558 -0.987109
C -2.857711 -2.135412 1.676545
C 3.187801 0.310868 -0.286286
C 2.956590 -1.088343 -0.432323
C -3.771609 -3.114932 -0.398446
C -3.253166 -3.264963 0.912918
C 1.588962 -1.606942 -0.848715
C 4.461836 0.785830 0.097991
C 4.027619 -1.973873 -0.194155
C 5.322663 -1.514833 0.183912
C 5.522340 -0.117393 0.330405
C 1.307493 -1.418900 -2.363599
H -1.823874 3.141331 -1.235199
H -1.598126 4.470718 -0.077057
H -2.670632 3.090648 1.745464
H -3.756524 3.350630 0.335540
H -0.066632 3.015741 1.317374
H -0.315369 1.659829 0.199702
H 0.652297 3.048915 -1.697181
H 1.014266 4.348203 -0.533312
H 2.507145 2.753196 0.763156
H 3.038892 2.994128 -0.944420
H -4.309258 -1.701917 -1.998218
H -2.455392 -2.238385 2.689114
H -4.067943 -4.005072 -0.963765
H -3.156940 -4.268728 1.340587
H 1.511066 -2.680671 -0.591323
H 0.804654 -1.073738 -0.278465
H 4.647951 1.856807 0.222277
H 3.849403 -3.052382 -0.300747
H 6.505550 0.267116 0.628048
H 1.345354 -0.348685 -2.629462
H 0.304964 -1.805616 -2.626385
H 2.056594 -1.954417 -2.974936
H 7.286936 -2.100681 0.685670
H 6.216246 -3.422987 0.305687


