%chk=000064383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064383

0 1
 O    1.045800      -1.631700       1.357000    
 N    1.232700      -1.375800     -0.9453000    
 N    5.022300      0.4105000      0.2340000    
 C   -1.810200     -0.8238000     -1.2400000E-02
 C   -4.204600     -3.2000002E-02 -0.2672000    
 C   -2.691500       1.075200       1.416800    
 C   -2.310000       1.434900      -1.048200    
 C   -3.268400      -1.252700     -0.3007000    
 C   -1.759700     -0.1488000       1.378800    
 C   -1.379100      0.2102000      -1.079500    
 C   -4.131600      0.6240000       1.121600    
 C   -3.752100      0.9821000      -1.331000    
 C   -2.246500       2.083600      0.3446000    
 C  -0.8819000      -2.040700     -4.6399999E-02
 C   0.5576000      -1.667900      0.2308000    
 C    2.623500     -0.9853000     -0.9814000    
 C    2.810200      0.5270000     -0.8760000    
 C    4.271200      0.9856000     -0.8754000    
 C    4.442600      0.8179000       1.515200    
 C    6.429700      0.8075000      0.1648000    
 H   -5.233000     -0.3493000     -0.4726000    
 H   -2.646700       1.543600       2.406300    
 H   -1.994600       2.159000      -1.807900    
 H   -3.600000      -1.991600      0.4402000    
 H   -3.333700      -1.739700      -1.282200    
 H  -0.7453000      0.1879000       1.622200    
 H   -2.054300     -0.8619000       2.159400    
 H   -1.394200     -0.2400000      -2.080100    
 H  -0.3624000      0.5749000     -0.9001000    
 H   -4.809900       1.485000       1.165100    
 H   -4.466900     -8.4500000E-02   1.888900    
 H   -4.423700       1.849400      -1.331100    
 H   -3.814300      0.5312000      -2.329100    
 H   -1.225400       2.426300      0.5527000    
 H   -2.891700       2.970300      0.3741000    
 H  -0.9523000      -2.555700      -1.013000    
 H   -1.181300      -2.776100      0.7113000    
 H   0.7446000      -1.438400      -1.833800    
 H    3.035700      -1.351000      -1.927900    
 H    3.143100      -1.501800     -0.1676000    
 H    2.268700      0.9189000     -6.8999999E-03
 H    2.314900      0.9912000      -1.740100    
 H    4.302700       2.082900     -0.8520000    
 H    4.723700      0.6745000      -1.825900    
 H    3.466200      0.3557000       1.689200    
 H    4.343600       1.906100       1.601300    
 H    5.073000      0.4737000       2.344100    
 H    7.004200      0.3322000      0.9676000    
 H    6.557700       1.893300      0.2441000    
 H    6.877600      0.4749000     -0.7783000    


%chk=000064383-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064383

0 1
O 1.226295 -1.128643 1.201254
N 1.402735 -1.373964 -1.099517
N 5.136131 0.316143 0.267105
C -1.808623 -0.696108 0.003652
C -4.309262 -0.169686 -0.154825
C -2.829721 1.188288 1.390812
C -2.618287 1.451004 -1.123965
C -3.237626 -1.292786 -0.181840
C -1.764752 0.058465 1.366057
C -1.550147 0.323676 -1.145150
C -4.243786 0.574182 1.206760
C -4.031109 0.833716 -1.306809
C -2.550404 2.192320 0.239356
C -0.774365 -1.865787 -0.036541
C 0.687446 -1.429071 0.085658
C 2.812633 -0.939380 -1.132698
C 2.969036 0.594310 -1.005853
C 4.441957 1.024000 -0.835620
C 4.504411 0.519132 1.590721
C 6.577856 0.632067 0.286349
H -5.313460 -0.619780 -0.286860
H -2.776500 1.715751 2.363821
H -2.413924 2.165098 -1.946735
H -3.439020 -2.027989 0.624592
H -3.292403 -1.841971 -1.145471
H -0.753420 0.471535 1.536820
H -1.953777 -0.659624 2.189645
H -1.576544 -0.201354 -2.124515
H -0.539571 0.765721 -1.037644
H -5.014679 1.370461 1.241220
H -4.461975 -0.129997 2.035113
H -4.798081 1.634210 -1.306256
H -4.097461 0.316893 -2.285998
H -1.550052 2.651580 0.372123
H -3.295064 3.013592 0.261584
H -0.928307 -2.442031 -0.972157
H -0.981182 -2.545236 0.811930
H 0.918006 -1.571027 -1.975797
H 3.270254 -1.301726 -2.071928
H 3.348251 -1.415139 -0.293936
H 2.371683 0.931443 -0.139958
H 2.556269 1.099520 -1.901696
H 4.470783 2.138266 -0.692711
H 5.000804 0.808467 -1.769125
H 3.478948 0.111543 1.599885
H 4.464639 1.597441 1.893269
H 5.086619 -0.027280 2.354237
H 7.082291 0.022605 1.057536
H 6.793640 1.710323 0.505050
H 7.028816 0.387627 -0.692945


