%chk=000180506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180506

0 1
O -6.278327 0.924173 0.117098
O -3.125289 0.738868 -1.437449
O -3.252614 -1.028605 2.051965
O -5.180987 2.822316 0.109605
O 8.065752 0.442992 0.607336
O 7.721461 -1.619605 1.157850
N 7.366176 -0.555669 0.675174
C -0.411073 0.269646 -0.861015
C 1.017436 0.167783 -0.316478
C -1.402211 0.637936 0.248087
C 2.005378 -0.222322 -1.427769
C -3.873037 0.909967 0.832992
C -2.803114 0.764817 -0.279339
C 3.403443 -0.309782 -0.884120
C -4.133803 -0.499426 1.413647
C -5.071776 1.654384 0.338558
C 4.253554 0.809145 -0.936791
C 3.864051 -1.509280 -0.312111
C -5.424588 -1.073844 1.107939
C -6.404128 -0.397209 0.471489
C 5.548497 0.734608 -0.429635
C 5.156730 -1.595600 0.198364
C 5.995605 -0.470448 0.136805
C -7.742167 -0.886644 0.075685
H -0.715183 -0.689222 -1.328966
H -0.464621 1.022065 -1.675169
H 1.062263 -0.578044 0.502713
H 1.325432 1.131424 0.135794
H -1.097102 1.585823 0.740585
H -1.377324 -0.129320 1.063646
H 1.951897 0.512804 -2.258160
H 1.703074 -1.189529 -1.882203
H -3.432196 1.524277 1.670324
H 3.899300 1.741827 -1.376213
H 3.206280 -2.377628 -0.266059
H -5.563988 -2.111738 1.421459
H 6.220438 1.599320 -0.466317
H 5.527079 -2.524924 0.645390
H -8.358307 -0.088827 -0.380395
H -8.306315 -1.281328 0.937004
H -7.670397 -1.699384 -0.667824


%chk=000180506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180506

0 1
O -6.184754 1.131849 0.071062
O -3.291854 0.482125 -1.253046
O -3.542456 -1.091048 2.415243
O -5.050416 3.044873 0.622705
O 8.127725 0.822388 0.313276
O 7.958432 -1.315627 1.090256
N 7.469021 -0.272813 0.504739
C -0.484614 0.037515 -0.724195
C 0.984141 0.039678 -0.248710
C -1.440792 0.557140 0.364665
C 1.953622 -0.498809 -1.340548
C -3.902353 0.933422 1.095398
C -2.889540 0.652268 -0.080859
C 3.403310 -0.456142 -0.890844
C -4.310039 -0.471372 1.621199
C -5.040627 1.809140 0.619080
C 4.182720 0.718218 -1.074732
C 3.997663 -1.569483 -0.237766
C -5.541973 -1.007797 1.061289
C -6.389372 -0.243945 0.295883
C 5.513485 0.790358 -0.622140
C 5.327107 -1.521345 0.223658
C 6.068402 -0.335913 0.024903
C -7.650853 -0.704645 -0.364621
H -0.785407 -0.987056 -1.017292
H -0.589670 0.660004 -1.633221
H 1.089429 -0.576992 0.666273
H 1.288587 1.068896 0.029619
H -1.135136 1.570723 0.704268
H -1.410468 -0.076154 1.276836
H 1.822083 0.107228 -2.257856
H 1.661993 -1.536260 -1.593278
H -3.357397 1.465272 1.892141
H 3.740460 1.581703 -1.585021
H 3.411633 -2.484784 -0.095347
H -5.790359 -2.051201 1.266039
H 6.125474 1.685614 -0.759995
H 5.797968 -2.371299 0.724598
H -8.512739 -0.112998 -0.006340
H -7.834741 -1.771649 -0.167376
H -7.582394 -0.545292 -1.456446


