%chk=000221174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221174

0 1
O 0.850951 -1.543251 -0.395614
O 1.464327 1.321156 0.794602
O -1.898875 -0.959699 1.165734
O -1.537026 1.036161 -1.827668
C 2.023376 -0.698766 -0.267223
C 0.295808 -2.062785 0.842757
C 1.593028 0.754091 -0.532073
C -0.517322 -0.980748 1.581269
C 2.981558 -1.215421 -1.334441
C -0.538806 -3.251430 0.388608
C 1.179895 2.748336 0.826378
C -2.269757 0.095696 0.265494
C -1.835481 -0.218038 -1.179482
C -0.220132 3.027339 0.293345
C 1.333376 3.081430 2.307427
C -2.878113 -0.997541 -1.964725
H 2.453834 -0.788725 0.755901
H 1.146024 -2.384603 1.487930
H 0.614025 0.802826 -1.050495
H 2.344655 1.325014 -1.099307
H -0.045739 0.018654 1.470413
H -0.607943 -1.231636 2.654994
H 3.923620 -0.659128 -1.342049
H 2.532865 -1.152159 -2.334714
H 3.210311 -2.275663 -1.166011
H -0.104962 -3.705923 -0.512023
H -0.609191 -4.016573 1.166464
H -1.564851 -2.938018 0.136948
H 1.951530 3.263669 0.211983
H -3.366101 0.121748 0.395998
H -1.830479 1.062564 0.599229
H -0.832942 -0.731680 -1.187518
H -0.521669 4.063879 0.462643
H -0.296286 2.820405 -0.784700
H -0.966395 2.370022 0.773802
H 1.218554 4.153632 2.491125
H 2.320088 2.771208 2.674740
H 0.590015 2.550243 2.914558
H -2.536908 -1.183109 -2.991144
H -3.060220 -1.975458 -1.498347
H -3.840938 -0.480857 -2.023189
H -2.348103 1.485339 -2.122619


%chk=000221174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221174

0 1
O 0.808829 -1.510189 -0.392034
O 1.198879 1.343425 0.878279
O -1.981612 -1.111399 0.972136
O -1.836552 1.040201 -2.133067
C 2.025677 -0.682102 -0.224559
C 0.292568 -2.216094 0.804428
C 1.700576 0.811208 -0.398724
C -0.683656 -1.342060 1.623832
C 3.035995 -1.157180 -1.284487
C -0.345826 -3.516886 0.300923
C 1.192863 2.827260 0.950366
C -2.057319 0.095097 0.129121
C -1.983075 -0.234540 -1.378340
C 0.051816 3.444491 0.116713
C 1.086099 3.169019 2.441531
C -3.186682 -1.045818 -1.872001
H 2.438212 -0.827150 0.796384
H 1.151828 -2.454755 1.474694
H 0.952580 0.934336 -1.208157
H 2.626851 1.359722 -0.681439
H -0.197049 -0.377230 1.867850
H -0.927375 -1.878407 2.561738
H 4.000707 -0.625502 -1.186868
H 2.638644 -0.982679 -2.300666
H 3.216656 -2.239628 -1.173209
H 0.392494 -4.114210 -0.260198
H -0.723735 -4.115801 1.149663
H -1.198028 -3.289697 -0.360793
H 2.171102 3.187132 0.554532
H -3.034708 0.567958 0.363363
H -1.238837 0.793259 0.382765
H -1.038014 -0.765602 -1.570935
H 0.156892 4.545289 0.087620
H 0.048169 3.069271 -0.921408
H -0.927781 3.202208 0.566472
H 1.085395 4.264279 2.588303
H 1.931796 2.735968 3.002681
H 0.147257 2.761901 2.858399
H -3.073725 -1.311727 -2.937377
H -3.281812 -1.972804 -1.278139
H -4.129375 -0.473872 -1.749548
H -2.707123 1.515509 -2.110848


