%chk=000180496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180496

0 1
O -3.637380 1.769574 -0.264281
O 0.173800 0.355911 1.299500
O -1.880044 -2.833719 0.249730
O -1.774509 -1.470866 -1.558392
N -0.399584 2.252610 0.212884
N -2.594853 0.160322 0.988641
C -1.651443 2.449014 0.995189
C -2.072246 3.903716 0.717838
C -1.386568 4.304587 -0.601138
C -0.214740 3.326820 -0.806054
C -2.723327 1.454894 0.473622
C 0.451140 1.167773 0.421978
C 1.674023 1.093856 -0.468477
C 2.516250 -0.130029 -0.223491
C -3.285160 -0.960042 0.325891
C 2.998109 -0.416063 1.063299
C 2.850816 -0.970064 -1.295712
C -2.247987 -1.736270 -0.481200
C 3.815995 -1.529022 1.270452
C 3.671820 -2.081211 -1.081342
C 4.158144 -2.361175 0.199025
C -0.679575 -3.570297 -0.164496
C 0.485985 -3.022948 0.629067
H -1.455991 2.269684 2.083160
H -3.174255 3.990811 0.630801
H -1.760917 4.562323 1.546781
H -1.042468 5.351202 -0.574435
H -2.106439 4.226310 -1.439740
H 0.764582 3.825984 -0.652276
H -0.226498 2.890978 -1.828043
H 2.306954 1.998327 -0.317937
H 1.352366 1.128873 -1.535367
H -1.754173 -0.101954 1.534161
H -4.094774 -0.584255 -0.351717
H -3.762321 -1.614074 1.093974
H 2.710374 0.215745 1.903584
H 2.468811 -0.767576 -2.294624
H 4.185939 -1.749727 2.270671
H 3.931648 -2.729736 -1.916588
H 4.799857 -3.224331 0.362677
H -0.548645 -3.466213 -1.256653
H -0.948438 -4.607090 0.101156
H 0.419833 -3.283814 1.691993
H 0.524053 -1.918274 0.590335
H 1.448537 -3.384564 0.247752


%chk=000180496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180496

0 1
O -2.934429 1.331134 -1.139977
O -0.309668 0.864626 2.529111
O -2.610369 -3.377151 -0.256974
O -0.703564 -2.033333 -0.158887
N -0.137043 2.292726 0.712850
N -2.335367 0.144724 0.783010
C -1.619766 2.492514 0.622644
C -1.755999 3.758815 -0.245848
C -0.523091 3.690945 -1.183152
C 0.599597 3.128705 -0.280714
C -2.349364 1.269176 -0.014159
C 0.423941 1.535177 1.711742
C 1.949087 1.515370 1.833291
C 2.678498 0.790699 0.698152
C -2.954115 -1.096419 0.346666
C 3.953799 1.244214 0.274664
C 2.119815 -0.359218 0.083898
C -1.939613 -2.176624 -0.039917
C 4.664407 0.560686 -0.738150
C 2.827681 -1.038023 -0.933351
C 4.101924 -0.585063 -1.347102
C -1.775872 -4.556068 -0.654732
C -1.220800 -5.267686 0.581758
H -2.011022 2.619505 1.649781
H -2.701831 3.748335 -0.808737
H -1.716793 4.660114 0.392716
H -0.253052 4.670411 -1.611386
H -0.732680 2.992497 -2.011382
H 1.144437 3.942066 0.240356
H 1.332896 2.519317 -0.834815
H 2.154985 1.011384 2.794838
H 2.333831 2.550770 1.915539
H -1.743720 0.188611 1.638462
H -3.575309 -0.872557 -0.541361
H -3.621820 -1.512325 1.122963
H 4.395940 2.133887 0.741590
H 1.131759 -0.729183 0.377851
H 5.650189 0.922961 -1.051883
H 2.374937 -1.919442 -1.400760
H 4.648522 -1.114762 -2.135603
H -0.965018 -4.203004 -1.315902
H -2.478906 -5.188916 -1.219054
H -2.035302 -5.563580 1.265136
H -0.514746 -4.618173 1.125720
H -0.680281 -6.181844 0.273305


