%chk=000180098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180098

0 1
O -3.602119 -2.685232 0.769626
O 0.868202 -3.703491 0.474908
O -3.340866 -1.510570 -1.593528
O -1.937140 3.741601 -0.167365
O 1.743739 3.604901 -1.372978
O 0.773897 2.358202 0.087789
N -1.049184 -1.461124 -1.525989
N -1.289638 -3.033403 0.801330
N 4.325060 -1.278487 0.491827
N 1.759666 2.691381 -0.564712
C 0.193341 -1.755357 -0.776474
C -2.365792 -2.033293 0.543960
C 0.731317 -0.507193 -0.040536
C -0.034619 -2.919559 0.218225
C -2.300939 -1.609420 -0.962280
C -2.277120 -0.864188 1.542594
C 2.208951 -0.503387 0.103921
C -0.911676 -0.969841 -2.916224
C -1.562743 -4.122757 1.770024
C 3.115906 0.609649 -0.037362
C -2.905593 0.402214 1.027499
C 2.972123 -1.623360 0.433538
C 4.447522 0.088624 0.199326
C 3.035684 1.986703 -0.345725
C -2.083946 1.488143 0.703279
C -4.294573 0.497419 0.876898
C 5.611012 0.873156 0.120577
C 4.190436 2.763327 -0.446725
C 5.466395 2.210150 -0.210009
C -2.680514 2.653022 0.201534
C -4.866588 1.681148 0.390139
C -4.073366 2.772694 0.044972
H 0.968887 -2.112324 -1.515169
H 0.255512 -0.411168 0.967254
H 0.388054 0.403132 -0.586678
H -1.215134 -0.685704 1.830082
H -2.788335 -1.178803 2.483111
H -0.301018 -0.052714 -2.952359
H -1.913015 -0.729782 -3.331641
H -0.454594 -1.739842 -3.559477
H -0.849372 -4.953621 1.616296
H -2.591679 -4.503349 1.630214
H -1.459512 -3.757339 2.804622
H -4.157034 -2.719129 -0.065498
H 2.630352 -2.641771 0.622546
H 5.083009 -1.901592 0.701473
H -1.006748 1.446243 0.841286
H -4.926840 -0.353477 1.122142
H 6.590379 0.438039 0.311767
H 4.112160 3.823516 -0.713200
H 6.342697 2.854959 -0.290729
H -5.949191 1.745147 0.274742
H -4.496267 3.695572 -0.341408
H -0.950247 3.557834 -0.099135


%chk=000180098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180098

0 1
O -3.747344 -2.864842 0.562004
O 0.899612 -3.589489 0.851031
O -3.358430 -1.634122 -1.704186
O -1.824236 3.682329 -0.069257
O 1.923381 4.043982 -0.933040
O 0.837066 2.393195 0.185164
N -1.043362 -1.500997 -1.436728
N -1.380189 -3.105122 0.863609
N 4.426296 -1.232807 0.257214
N 1.914998 2.881576 -0.372150
C 0.160456 -1.797366 -0.624076
C -2.485331 -2.159732 0.504296
C 0.778000 -0.479926 -0.031603
C -0.090328 -2.902057 0.427316
C -2.311986 -1.718124 -0.981190
C -2.535226 -0.977308 1.545117
C 2.289823 -0.440532 0.045693
C -0.829081 -1.048217 -2.824412
C -1.647371 -4.132294 1.891874
C 3.205850 0.684145 -0.082662
C -3.107461 0.332245 1.023876
C 3.081219 -1.578523 0.266787
C 4.550363 0.138134 0.033506
C 3.156130 2.102099 -0.317078
C -2.217481 1.399459 0.756845
C -4.493592 0.514391 0.794007
C 5.731138 0.890654 -0.088925
C 4.339286 2.866631 -0.467085
C 5.613496 2.271848 -0.352068
C -2.687517 2.626872 0.229892
C -4.961221 1.751453 0.290143
C -4.072499 2.808731 0.000026
H 0.904881 -2.236439 -1.316943
H 0.351472 -0.292370 0.970084
H 0.419436 0.346392 -0.661531
H -1.514771 -0.804895 1.931208
H -3.144008 -1.371467 2.379585
H -0.210920 -0.132810 -2.841169
H -1.810013 -0.831445 -3.273011
H -0.324382 -1.835231 -3.415373
H -0.874142 -4.910709 1.809343
H -2.649430 -4.548553 1.715930
H -1.601798 -3.700317 2.909675
H -4.200767 -2.672315 -0.315691
H 2.727016 -2.596333 0.445294
H 5.201244 -1.881346 0.379341
H -1.150672 1.289559 0.972011
H -5.195467 -0.299003 1.005984
H 6.714669 0.419406 0.013589
H 4.238668 3.938559 -0.654067
H 6.509334 2.890963 -0.453841
H -6.033648 1.894300 0.115095
H -4.425040 3.765042 -0.397868
H -0.867224 3.408223 0.030717


