%chk=000187651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187651

0 1
O -4.063603 -1.901666 -0.008905
O 4.845781 0.096325 -0.751348
O -1.340041 1.584967 -0.112674
N -2.747977 0.286209 1.198489
N -0.505606 -0.397111 0.783582
C -4.612196 0.439110 -0.490603
C -3.925883 1.066031 0.733680
C -5.140386 -0.969201 -0.219987
C 0.872655 -0.243262 0.414054
C -1.512192 0.573127 0.548891
C 1.787259 -1.180796 0.924423
C 1.311919 0.777331 -0.458870
C 3.555038 -0.102446 -0.301951
C 3.137468 -1.115759 0.564916
C 2.648875 0.849839 -0.817416
C 5.868634 -0.810353 -0.278072
H -5.444997 1.094115 -0.816784
H -3.902924 0.426848 -1.344117
H -3.603739 2.109033 0.493776
H -4.629619 1.129543 1.593848
H -5.703650 -1.038481 0.730521
H -5.770790 -1.337516 -1.048782
H -2.980560 -0.706776 1.364305
H -0.696823 -1.150685 1.446892
H 1.459904 -1.967341 1.601600
H 0.597942 1.515539 -0.846800
H 3.833221 -1.846607 0.963593
H 3.014307 1.627132 -1.487063
H -3.519817 -1.985266 -0.818771
H 5.968104 -0.739305 0.808686
H 6.763588 -0.419571 -0.779979
H 5.652810 -1.831806 -0.603433


%chk=000187651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187651

0 1
O -4.467466 -2.055807 0.391622
O 5.194262 0.239205 -0.358638
O -1.213419 1.865478 -0.194687
N -2.692514 0.168259 0.445074
N -0.399478 -0.267141 0.436576
C -5.035215 0.265228 -0.412181
C -3.888120 1.009331 0.304919
C -5.513071 -0.998358 0.330776
C 1.000115 -0.113156 0.231246
C -1.418980 0.674747 0.201196
C 1.837079 -1.216876 0.534998
C 1.593271 1.084332 -0.261268
C 3.816056 0.046403 -0.136598
C 3.236110 -1.146793 0.356697
C 2.985563 1.152459 -0.440779
C 6.082424 -0.879842 -0.049260
H -5.897311 0.957025 -0.498530
H -4.726292 0.001956 -1.443686
H -3.586652 1.910587 -0.257147
H -4.242576 1.348702 1.302277
H -5.728438 -0.773199 1.389283
H -6.432038 -1.408746 -0.134259
H -2.870290 -0.820526 0.660109
H -0.685139 -1.169098 0.823459
H 1.396243 -2.147378 0.917024
H 0.952816 1.938143 -0.489123
H 3.848673 -2.018804 0.604062
H 3.452406 2.067616 -0.818196
H -4.352842 -2.438336 -0.514896
H 6.030344 -1.154359 1.023263
H 7.094375 -0.521163 -0.289510
H 5.846803 -1.768685 -0.668121


