%chk=000091883.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091883

0 1
 O  -0.7385000      0.8037000       1.960000    
 O    2.837800     -2.1800000E-02 -0.2343000    
 O    4.067200       1.409000       1.083000    
 N   0.5917000       1.244500      0.1012000    
 C   -1.576100      0.2589000     -0.2172000    
 C  -0.9958000     -0.8716000      -1.126500    
 C   -2.835900     -0.2190000      0.5509000    
 C   -2.019600       1.488400      -1.044700    
 C  -0.1114000      -1.927000     -0.4265000    
 C   -2.674400      -1.303200       1.612600    
 C  -0.5399000      -2.464600      0.9330000    
 C   -2.040200      -2.601400       1.133000    
 C  -0.5431000      0.7855000      0.7475000    
 C  -0.1971000     -0.3503000      -2.338200    
 C   -2.576300       2.562800     -0.1227000    
 C   -3.046200       1.071100      -2.086900    
 C    1.720000       1.819300      0.7976000    
 C    3.006700       1.059700      0.5750000    
 C    4.015100     -0.7940000     -0.4939000    
 C    3.656000      -1.950000      -1.402900    
 H   -1.850800      -1.421100      -1.544900    
 H   -3.319800      0.5964000       1.094700    
 H   -3.582000     -0.5980000     -0.1581000    
 H   -1.183300       1.960300      -1.570600    
 H  -2.5100000E-02  -2.783200      -1.110700    
 H   0.9082000      -1.554000     -0.3131000    
 H   -2.154700     -0.9368000       2.502800    
 H   -3.684500      -1.550200       1.968800    
 H  -8.1200004E-02  -3.455000       1.052700    
 H  -0.1058000      -1.851700       1.731600    
 H   -2.207600      -3.356000       1.912500    
 H   -2.533800      -2.977000      0.2298000    
 H  -0.6297000      0.4809000      -2.892400    
 H   0.8444000     -0.1133000      -2.110000    
 H  -0.1318000      -1.167500      -3.070600    
 H   -1.948900       2.800300      0.7397000    
 H   -2.654800       3.498800     -0.6924000    
 H   -3.596600       2.366100      0.2202000    
 H   -2.772600      0.2142000      -2.703800    
 H   -3.206800       1.906200      -2.780700    
 H   -4.028500      0.8644000      -1.649100    
 H   0.6208000       1.332700     -0.9031000    
 H    1.519700       1.854800       1.872100    
 H    1.848600       2.834300      0.4101000    
 H    4.420600      -1.175000      0.4499000    
 H    4.763400     -0.1600000     -0.9824000    
 H    4.546400      -2.526700      -1.668500    
 H    2.943000      -2.620600     -0.9133000    
 H    3.179800      -1.589500      -2.320500    


%chk=000091883-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091883

0 1
O -0.950582 1.025429 2.027942
O 3.147451 0.242422 -0.392318
O 4.194835 1.183787 1.467328
N 0.700682 0.603728 0.485444
C -1.655232 0.121924 -0.187702
C -1.226076 -1.213022 -0.948993
C -3.046423 -0.104494 0.494468
C -1.790013 1.339422 -1.216204
C -0.553439 -2.321376 -0.073517
C -3.163230 -1.075717 1.695252
C -1.098338 -2.573185 1.353881
C -2.639055 -2.516237 1.489532
C -0.626582 0.591617 0.875167
C -0.352269 -1.059982 -2.228206
C -1.948500 2.722201 -0.533947
C -2.938767 1.143163 -2.239926
C 1.742538 1.075889 1.396355
C 3.150790 0.856277 0.864090
C 4.488462 -0.025575 -1.005470
C 4.235557 -0.705554 -2.346398
H -2.190540 -1.635169 -1.299648
H -3.422719 0.874384 0.845602
H -3.738707 -0.448471 -0.299456
H -0.836587 1.377420 -1.780441
H -0.642456 -3.262780 -0.654612
H 0.534307 -2.115222 0.000398
H -2.638583 -0.630887 2.560206
H -4.238857 -1.121738 1.964417
H -0.728702 -3.566511 1.679079
H -0.665906 -1.840318 2.062195
H -2.943541 -3.117686 2.369335
H -3.121522 -2.990225 0.608524
H -0.818773 -0.426125 -2.999929
H 0.660131 -0.656797 -2.028090
H -0.199810 -2.061991 -2.672989
H -1.092781 2.967133 0.118366
H -2.022971 3.509364 -1.307850
H -2.861625 2.773815 0.085347
H -2.934025 0.141352 -2.705038
H -2.848515 1.891937 -3.049214
H -3.925364 1.290111 -1.765495
H 0.997640 0.241854 -0.421048
H 1.659944 0.572459 2.379389
H 1.627533 2.155919 1.617003
H 5.061460 -0.660211 -0.306325
H 5.015336 0.939759 -1.108432
H 5.200733 -0.932492 -2.834472
H 3.685482 -1.652873 -2.212669
H 3.654208 -0.052925 -3.020229


