%chk=000179174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179174

0 1
O -0.642430 1.103632 -0.066124
O 4.154337 -0.047719 1.011399
O -2.408453 2.566291 -0.046155
N -2.344499 0.670072 1.350619
N -0.077806 0.861744 -3.349011
C 1.496757 2.054497 -0.484565
C 0.069003 1.988999 -0.984502
C 2.119297 0.896129 -0.005526
C -3.796059 0.670559 1.678243
C 3.441713 0.998038 0.437707
C -4.587747 -0.203626 0.736407
C 2.175805 3.278259 -0.512808
C 4.149889 2.212706 0.419528
C 3.499589 3.348863 -0.057101
C -4.901038 0.267395 -0.547354
C -5.006413 -1.479505 1.135572
C -1.902481 1.543453 0.362175
C 3.848445 -1.371176 0.668894
C -5.630594 -0.536991 -1.425613
C -5.739015 -2.279749 0.253178
C -6.050914 -1.810703 -1.026499
C -0.011853 1.357654 -2.309718
C 3.552734 -1.773268 -0.637372
C 3.975242 -2.275084 1.732905
C 3.374031 -3.138906 -0.876588
C 3.798589 -3.633007 1.462465
C 3.494495 -4.065004 0.165270
H -0.438643 2.995541 -0.996403
H 1.572056 -0.046237 0.038583
H -3.892671 0.333483 2.736904
H -4.176700 1.723003 1.650197
H 1.686762 4.177234 -0.883449
H 5.177687 2.245148 0.777104
H 4.026755 4.303892 -0.078713
H -1.867133 -0.231035 1.437651
H -4.571885 1.261516 -0.858901
H -4.767361 -1.851555 2.129928
H -5.871427 -0.171231 -2.423339
H -6.066106 -3.270712 0.564387
H -6.620039 -2.435847 -1.712767
H 3.476846 -1.048972 -1.445427
H 4.212225 -1.913504 2.730897
H 3.142342 -3.481136 -1.885754
H 3.895519 -4.359914 2.268936
H 3.354248 -5.125621 -0.033260


%chk=000179174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179174

0 1
O -0.874112 0.260962 -0.525248
O 4.384818 -0.229523 1.432122
O -1.954714 2.366014 -0.670319
N -2.903138 0.532380 0.461572
N 0.962259 -0.914945 -3.144868
C 1.406236 1.233754 -0.332098
C 0.275327 0.864727 -1.282927
C 2.388951 0.284342 0.035238
C -4.144038 1.200806 0.887435
C 3.399393 0.658940 0.948397
C -5.396602 0.411432 0.518083
C 1.429735 2.541232 0.212256
C 3.430714 1.959043 1.503989
C 2.441123 2.892752 1.134088
C -5.558370 -0.127249 -0.784022
C -6.430468 0.232257 1.469171
C -1.938593 1.173386 -0.266902
C 4.799827 -1.364088 0.679793
C -6.733948 -0.829712 -1.127183
C -7.611110 -0.466236 1.126077
C -7.765415 -1.000204 -0.173309
C 0.651657 -0.128486 -2.304630
C 5.039592 -1.307862 -0.712552
C 5.068927 -2.532782 1.423237
C 5.540574 -2.456141 -1.365275
C 5.577156 -3.670266 0.757796
C 5.809818 -3.638835 -0.637335
H -0.112262 1.777628 -1.777858
H 2.362515 -0.728626 -0.379532
H -4.122390 1.378122 1.980567
H -4.141106 2.191786 0.396673
H 0.658030 3.264004 -0.073654
H 4.225959 2.212088 2.211267
H 2.464537 3.901081 1.560184
H -2.744239 -0.445433 0.710564
H -4.761767 0.003876 -1.525899
H -6.312911 0.638723 2.481711
H -6.847870 -1.241382 -2.136215
H -8.403497 -0.597903 1.871302
H -8.677508 -1.545463 -0.440075
H 4.848917 -0.388342 -1.274638
H 4.881538 -2.532668 2.501108
H 5.723815 -2.420882 -2.444571
H 5.787242 -4.580583 1.329803
H 6.198498 -4.524117 -1.151325


