%chk=000202599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202599

1 1
O -0.559297 1.309346 -1.088371
O 0.259671 0.476652 1.262730
N 3.224309 0.705817 -0.686662
C 2.257599 1.876687 -0.915520
C 2.443643 -0.609722 -0.585868
C 4.023262 0.963851 0.603102
C 4.205733 0.649347 -1.840749
C 1.434557 1.773168 -2.205210
C 3.333506 -1.844248 -0.411254
C 3.151853 1.088400 1.860064
C 0.006315 2.291188 -2.004221
C 2.464464 -3.083550 -0.227325
C 4.028531 1.083817 3.106112
C -1.833753 1.529076 -0.557552
C -2.090913 0.789252 0.617488
C -1.069091 -0.100502 1.288422
C -2.781000 2.362728 -1.152294
C -3.373731 0.896469 1.170863
C -0.995708 -1.489583 0.682540
C -4.048941 2.449814 -0.565270
C -4.344419 1.717793 0.587183
C -0.958249 -2.596967 1.543479
C -0.970757 -1.690678 -0.703725
C -0.911225 -3.892037 1.019993
C -0.926082 -2.987002 -1.224664
C -0.899292 -4.089442 -0.364598
H 2.833762 2.829823 -0.899466
H 1.559459 1.920982 -0.031360
H 1.796163 -0.721112 -1.488048
H 1.721881 -0.538733 0.286472
H 4.746542 0.122531 0.737773
H 4.634813 1.885311 0.472316
H 3.709847 0.359672 -2.785015
H 4.697749 1.624137 -2.008303
H 5.004386 -0.095426 -1.660676
H 1.366514 0.716944 -2.559124
H 1.915344 2.339601 -3.030320
H 3.997851 -1.730842 0.471602
H 3.997230 -1.990301 -1.287149
H 2.407378 0.257535 1.925311
H 2.546206 2.017848 1.838754
H -0.045879 3.293965 -1.546950
H -0.575125 2.269955 -2.945012
H 1.781715 -2.994481 0.631139
H 1.839338 -3.292935 -1.105643
H 3.080867 -3.976246 -0.052570
H 4.582320 0.144692 3.229216
H 4.756128 1.904814 3.114848
H 3.413038 1.201815 4.012112
H -1.261421 -0.153684 2.392238
H -2.564504 2.923640 -2.056421
H -3.622839 0.331024 2.072386
H -4.809001 3.091787 -1.015977
H -5.336650 1.785317 1.036335
H -0.975442 -2.455323 2.624300
H -1.009580 -0.835701 -1.380791
H 0.359298 1.074445 0.473243
H -0.896261 -4.750059 1.692937
H -0.932241 -3.140451 -2.303133
H -0.880670 -5.100719 -0.771317


%chk=000202599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202599

1 1
O -0.692877 0.903102 -1.498298
O 0.206678 -0.558108 0.486099
N 3.483256 0.916533 -0.635926
C 2.141884 1.645129 -0.903747
C 3.237067 -0.619629 -0.576830
C 4.064055 1.442611 0.707393
C 4.483909 1.255400 -1.733754
C 1.532817 1.438767 -2.306579
C 4.444389 -1.469731 -0.146965
C 3.213791 1.182553 1.961468
C 0.056205 1.886344 -2.306086
C 4.067215 -2.968684 -0.239976
C 3.942433 1.755606 3.200499
C -1.755542 1.361179 -0.654120
C -2.005475 0.615970 0.532309
C -1.216096 -0.631181 0.947358
C -2.537116 2.483565 -1.006664
C -3.074859 1.048801 1.354469
C -1.846654 -1.949705 0.493145
C -3.593821 2.888925 -0.163233
C -3.864350 2.170538 1.022185
C -1.702618 -3.098453 1.311718
C -2.526607 -2.067375 -0.745784
C -2.221285 -4.345378 0.899440
C -3.041967 -3.314745 -1.162096
C -2.890567 -4.456807 -0.341852
H 2.340596 2.718044 -0.728263
H 1.442071 1.280156 -0.133764
H 2.921721 -0.913542 -1.593501
H 2.381641 -0.774344 0.104309
H 5.057620 0.974977 0.815894
H 4.215984 2.528313 0.561314
H 4.146784 0.823708 -2.686955
H 4.559158 2.350540 -1.824312
H 5.467981 0.841105 -1.471787
H 1.555308 0.378430 -2.617974
H 2.071583 2.022759 -3.075083
H 4.735613 -1.239273 0.894162
H 5.324714 -1.280332 -0.789826
H 3.044274 0.100368 2.103280
H 2.218084 1.651931 1.875614
H -0.059247 2.898443 -1.871203
H -0.343230 1.890179 -3.336151
H 3.188912 -3.202068 0.388136
H 3.831479 -3.263046 -1.278678
H 4.905842 -3.596685 0.104337
H 4.929976 1.281880 3.349968
H 4.095616 2.846989 3.115364
H 3.345054 1.573691 4.109441
H -1.125123 -0.641572 2.047281
H -2.353705 3.021183 -1.942690
H -3.290963 0.488183 2.271695
H -4.205596 3.753640 -0.439481
H -4.683714 2.477876 1.678971
H -1.183255 -3.014710 2.274689
H -2.670654 -1.184711 -1.378852
H 0.124036 -0.367373 -0.493089
H -2.112304 -5.224108 1.544199
H -3.571358 -3.394865 -2.117828
H -3.299559 -5.421493 -0.660992


