%chk=000224811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224811

0 1
O -2.764103 1.920425 -0.959357
O 0.853336 1.605989 2.808337
N -2.669001 -1.509912 0.994013
N 1.091023 1.873687 -2.070531
N 2.839896 -0.301139 -2.020540
C -1.875836 -0.264421 1.256139
C -2.781717 0.976228 1.310095
C -3.565439 1.225801 0.019925
C -3.529758 -1.862514 2.174689
C -1.763799 -2.656832 0.639725
C -1.307832 1.978564 -2.811466
C -1.944712 1.049498 -1.780910
C -0.092657 2.742314 -2.263561
C -4.653155 -2.804826 1.738816
C -1.171638 -2.469468 -0.757768
C 1.397999 1.292134 -0.850282
C 2.366046 0.198158 -0.816926
C 2.783448 -0.326407 0.441533
C 0.865630 1.758073 0.354884
C 1.312460 1.207448 1.573466
C 2.251649 0.183732 1.645421
C 3.751077 -1.390765 0.420472
C 4.218804 -1.865040 -0.774669
C 3.726151 -1.288950 -1.994737
C -0.043172 2.741143 2.874201
H -1.268616 -0.321913 2.186119
H -1.145924 -0.134987 0.416152
H -3.497180 0.884852 2.152205
H -2.146170 1.865842 1.531625
H -3.967460 0.286985 -0.402969
H -4.387932 1.947775 0.180322
H -2.951973 -2.314492 3.009424
H -3.978660 -0.924478 2.574415
H -0.947832 -2.802632 1.380850
H -2.375023 -3.587893 0.650556
H -2.073201 2.717293 -3.138333
H -1.034531 1.401307 -3.715165
H -2.593320 0.291434 -2.254295
H -1.206171 0.542428 -1.126711
H -0.369900 3.241976 -1.303425
H 0.200387 3.551191 -2.971937
H -5.187139 -2.399342 0.868915
H -4.271029 -3.789203 1.444978
H -5.379008 -2.951643 2.544312
H -1.945977 -2.171979 -1.476269
H -0.390114 -1.700144 -0.774284
H -0.720919 -3.400318 -1.118039
H 1.444386 1.416996 -2.916381
H 0.116100 2.545081 0.342622
H 2.568486 -0.205427 2.606184
H 4.094448 -1.798592 1.370432
H 4.952187 -2.666375 -0.826800
H 4.084823 -1.666280 -2.958053
H 0.449882 3.636080 2.484469
H -0.978012 2.520186 2.331329
H -0.221808 2.825750 3.953081


%chk=000224811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224811

0 1
O -2.771158 1.571483 -1.367226
O 1.589865 1.171640 3.094487
N -2.974471 -1.283406 1.370187
N 0.872485 1.632544 -1.789606
N 2.810056 -0.184500 -2.215847
C -2.997695 0.203576 1.359681
C -4.127504 0.765979 0.466096
C -3.813377 0.586141 -1.021964
C -3.945130 -1.855950 2.341007
C -1.600802 -1.844024 1.510125
C -1.172341 2.472155 -2.938511
C -2.102893 1.288171 -2.643246
C -0.124105 2.702700 -1.827119
C -4.394106 -3.283981 1.975874
C -0.823006 -1.840655 0.181006
C 1.494964 1.127646 -0.667018
C 2.529620 0.129404 -0.900571
C 3.206332 -0.478642 0.222865
C 1.189374 1.494416 0.662300
C 1.867381 0.865390 1.750252
C 2.861874 -0.105516 1.552675
C 4.212385 -1.454988 -0.093029
C 4.489737 -1.767318 -1.426209
C 3.762972 -1.105126 -2.465736
C 0.534021 2.144054 3.381303
H -3.094912 0.615063 2.396293
H -2.035631 0.570307 0.957553
H -5.083339 0.258824 0.701066
H -4.269339 1.845974 0.668352
H -3.448634 -0.447542 -1.201413
H -4.709643 0.767346 -1.654314
H -3.535087 -1.843245 3.383687
H -4.836549 -1.200318 2.352246
H -1.016012 -1.295121 2.290548
H -1.691562 -2.886621 1.866399
H -1.783635 3.388901 -3.037285
H -0.668747 2.306251 -3.912436
H -2.853188 1.178446 -3.457372
H -1.528949 0.339091 -2.563729
H -0.662704 2.738925 -0.865082
H 0.361669 3.691619 -1.977414
H -4.855276 -3.292430 0.972738
H -3.545538 -3.991621 1.964097
H -5.131995 -3.658339 2.710330
H -1.343710 -2.466466 -0.565666
H -0.726445 -0.820011 -0.229390
H 0.200109 -2.234155 0.328073
H 1.268045 1.269406 -2.666754
H 0.431961 2.257123 0.854850
H 3.356979 -0.555320 2.417841
H 4.755087 -1.945990 0.723090
H 5.252887 -2.507402 -1.687712
H 3.964057 -1.331390 -3.519145
H 0.781509 3.144410 2.975804
H -0.443490 1.811191 2.979969
H 0.485102 2.194300 4.479295


