%chk=000113014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000113014

0 1
O -0.501767 0.639987 1.023299
O -4.031233 2.207426 2.321460
O -1.818150 2.503707 2.418209
O -5.217640 -0.998217 -2.779736
O -6.245746 0.340418 -1.426031
N -5.249170 -0.241752 -1.821413
C 1.792454 2.192863 0.148255
C 4.432191 -2.168045 0.286438
C 1.842040 0.678714 0.366144
C 3.090075 -1.447885 0.443236
C 0.811787 2.528352 -1.009311
C 5.169909 -1.691339 -0.996239
C 3.024931 -0.060499 0.222819
C 3.178915 2.778141 -0.184847
C 1.297129 2.852305 1.448367
C 5.288612 -1.806463 1.519070
C 4.268879 -3.697346 0.228179
C 0.708891 -0.063092 0.745583
C 1.930822 -2.127225 0.845463
C 0.729150 -1.435633 0.998102
C 1.119665 1.798411 -2.312338
C 4.369839 -1.897375 -2.278320
C -1.603666 0.382493 0.276349
C -2.780465 1.051470 0.714315
C -1.627560 -0.464814 -0.856232
C -3.976954 0.830571 0.019851
C -2.813326 -0.661585 -1.536401
C -3.994080 -0.017436 -1.094574
C -2.747738 1.964489 1.866285
H 0.829093 3.622722 -1.182650
H -0.224041 2.305681 -0.689328
H 6.136704 -2.226823 -1.072164
H 5.435430 -0.620236 -0.895104
H 3.941679 0.455000 -0.076064
H 3.115168 3.862761 -0.332213
H 3.592663 2.354534 -1.105768
H 3.895034 2.610108 0.626339
H 0.272917 2.535509 1.716739
H 1.274699 3.942806 1.366939
H 1.935622 2.596747 2.299519
H 5.468527 -0.728935 1.591434
H 6.263801 -2.302994 1.488740
H 4.794895 -2.113140 2.448362
H 5.233641 -4.188916 0.058094
H 3.604310 -4.000612 -0.588413
H 3.865640 -4.102797 1.162202
H 1.951985 -3.197120 1.050922
H -0.174758 -1.949682 1.321070
H 2.111166 2.061865 -2.699088
H 0.388769 2.055285 -3.087827
H 1.098533 0.710234 -2.185247
H 4.162896 -2.957928 -2.462483
H 4.916191 -1.515794 -3.148455
H 3.404553 -1.377840 -2.241714
H -0.708106 -0.947444 -1.193217
H -4.904899 1.326164 0.352527
H -2.859842 -1.312265 -2.420012
H -4.042364 2.831771 3.096780


%chk=000113014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113014

0 1
O -0.532453 0.726952 0.893012
O -4.291885 1.968833 2.387550
O -2.015958 2.396290 2.494315
O -5.304387 -1.128713 -2.921823
O -6.456456 0.091383 -1.373266
N -5.362375 -0.399683 -1.854336
C 1.899892 2.290219 0.216097
C 4.462955 -2.181456 0.299368
C 1.879049 0.747963 0.365152
C 3.110631 -1.440478 0.428485
C 0.926414 2.765613 -0.920564
C 5.096237 -1.912429 -1.111644
C 3.059505 -0.030805 0.255987
C 3.324255 2.820356 -0.102389
C 1.451126 2.937366 1.564935
C 5.444578 -1.638489 1.383592
C 4.317632 -3.709756 0.516185
C 0.694925 0.012242 0.652997
C 1.900216 -2.106630 0.736579
C 0.698270 -1.380227 0.855140
C 1.193882 2.175073 -2.322407
C 4.253231 -2.374835 -2.319045
C -1.692987 0.423311 0.202216
C -2.925250 0.957535 0.709271
C -1.691003 -0.358236 -0.987421
C -4.126099 0.665385 0.022351
C -2.885698 -0.622607 -1.667175
C -4.098935 -0.113350 -1.147314
C -2.970297 1.824598 1.921056
H 1.003180 3.870648 -0.969524
H -0.112483 2.548190 -0.618024
H 6.084891 -2.414428 -1.135056
H 5.300141 -0.827586 -1.209800
H 3.991306 0.492586 0.028226
H 3.277959 3.918802 -0.215337
H 3.740080 2.406511 -1.038810
H 4.032535 2.603178 0.718399
H 0.423522 2.652102 1.841432
H 1.491367 4.039973 1.476734
H 2.131340 2.637326 2.383713
H 5.627715 -0.555342 1.264443
H 6.419589 -2.156089 1.308662
H 5.042146 -1.803949 2.399573
H 5.301929 -4.196763 0.389783
H 3.620241 -4.174495 -0.203235
H 3.961554 -3.940333 1.537410
H 1.880379 -3.187489 0.897585
H -0.234568 -1.889396 1.119919
H 2.185529 2.468450 -2.711790
H 0.436170 2.532365 -3.043805
H 1.152768 1.069818 -2.311421
H 4.105676 -3.469905 -2.322742
H 4.753475 -2.105645 -3.267317
H 3.256643 -1.896897 -2.315272
H -0.743541 -0.743268 -1.371664
H -5.075567 1.049381 0.400601
H -2.900851 -1.209494 -2.589200
H -4.284442 2.575623 3.175514


