%chk=000187752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187752

0 1
O 0.632670 -1.978861 -2.291998
O -1.280752 -0.092570 0.641852
O -1.638560 -3.052230 -0.350087
O -2.485684 2.757149 0.636784
O -1.730560 -4.271110 1.556647
O -3.496839 2.080941 -1.294707
N 3.812692 0.181431 0.795088
C 1.055182 -0.455321 0.304159
C 2.232912 -1.091845 -0.442319
C 1.842794 -2.100156 -1.497469
C 0.605216 -2.942859 -1.180441
C -0.343194 -1.027410 -0.072380
C 3.270942 0.055707 -0.610042
C -0.325060 -2.545737 -0.002930
C 1.521182 -0.431865 1.778531
C 0.681255 0.959311 -0.046713
C 2.761076 1.388152 -1.239513
C 2.785736 0.458724 1.866506
C 1.459553 1.891990 -0.689767
C -0.683011 1.140293 0.309870
C 4.923636 1.170872 0.886149
C 0.893077 3.179968 -0.842713
C -1.214764 2.416988 0.170243
C -0.402911 3.432234 -0.394575
C -2.276011 -3.894322 0.548322
C -3.629613 -4.197890 0.017055
C -3.598018 2.495524 -0.172809
C -4.806415 2.849099 0.620195
H 2.755268 -1.806286 0.291490
H 2.671738 -2.527671 -2.071324
H 0.516082 -3.980859 -1.499649
H -0.601804 -0.788949 -1.158332
H 4.118903 -0.304238 -1.246891
H 0.007724 -2.977864 0.966818
H 1.728327 -1.451709 2.146951
H 0.730567 -0.026288 2.438556
H 2.621020 1.224688 -2.332197
H 3.551939 2.157922 -1.151757
H 2.470749 1.525730 1.870665
H 3.293899 0.262145 2.836500
H 5.406742 1.068991 1.872800
H 4.621103 2.221805 0.760434
H 5.689290 0.934587 0.130348
H 1.462553 3.970890 -1.323317
H -0.837163 4.427382 -0.499525
H -3.802462 -3.745637 -0.975521
H -4.407821 -3.808351 0.694307
H -3.785524 -5.284278 -0.071636
H -5.391708 1.944402 0.852803
H -5.461688 3.529643 0.055222
H -4.554967 3.332437 1.579016


%chk=000187752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187752

0 1
O 0.680660 -1.941844 -2.474093
O -1.232374 -0.109337 0.667402
O -1.645801 -3.065339 -0.518703
O -2.538008 2.705264 0.620740
O -2.129073 -3.474855 1.732488
O -3.478354 1.331664 -1.040308
N 3.847100 0.204787 0.788078
C 1.099401 -0.453763 0.259984
C 2.283604 -1.046446 -0.519797
C 1.890047 -2.067287 -1.581031
C 0.656560 -2.903354 -1.291478
C -0.285987 -1.026712 -0.109909
C 3.339021 0.104279 -0.629750
C -0.310220 -2.543137 -0.129794
C 1.561938 -0.477428 1.750855
C 0.722710 0.974875 -0.061111
C 2.839142 1.464938 -1.240975
C 2.825927 0.426445 1.861646
C 1.504975 1.945942 -0.674785
C -0.627731 1.142904 0.315873
C 5.009007 1.094734 0.953747
C 0.911761 3.233498 -0.806024
C -1.207790 2.413818 0.194730
C -0.409650 3.457706 -0.346138
C -2.497978 -3.442746 0.539666
C -3.869074 -3.772342 -0.000420
C -3.621957 2.044389 -0.033782
C -4.904387 2.361053 0.698801
H 2.812518 -1.728679 0.183255
H 2.732182 -2.565819 -2.084953
H 0.625769 -3.957637 -1.591185
H -0.486117 -0.739143 -1.158616
H 4.201826 -0.231616 -1.240526
H -0.000575 -3.022963 0.817557
H 1.793765 -1.512668 2.065441
H 0.783777 -0.081824 2.427417
H 2.729821 1.333615 -2.337902
H 3.633268 2.224393 -1.104043
H 2.493195 1.491475 1.887089
H 3.327523 0.225847 2.828153
H 5.472387 0.912247 1.940990
H 4.765157 2.184762 0.897435
H 5.763561 0.871318 0.177596
H 1.458810 4.056606 -1.279509
H -0.868411 4.447432 -0.442526
H -3.791629 -4.390412 -0.909732
H -4.379979 -2.834213 -0.283252
H -4.460243 -4.290058 0.768704
H -4.932388 1.793029 1.646168
H -5.767642 2.075188 0.080634
H -4.950746 3.432113 0.954590


