%chk=000169316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169316

0 1
 O   0.4027000      -2.535700      0.4986000    
 O   -3.567700     -0.3052000     -0.6451000    
 N   0.4125000     -0.2087000      0.4861000    
 N   -1.590800      -1.448500     -7.5800002E-02
 N   -2.019400       2.210800     -0.2221000    
 N   0.1248000       2.233500      0.3879000    
 C    1.811500     -0.1123000      0.8838000    
 C    2.756100     -8.3200000E-02 -0.3132000    
 C  -0.3259000      0.9463000      0.2678000    
 C   -1.641200      0.9039000     -0.1064000    
 C    4.227700     -9.7000003E-03  0.1007000    
 C  -0.2043000      -1.473900      0.3184000    
 C   -2.386700     -0.2957000     -0.3101000    
 C    5.147200     -4.2800002E-02  -1.110200    
 C   -2.224300      -2.751900     -0.2459000    
 C  -0.9222000       2.973100      8.5500002E-02
 H    1.951400      0.7761000       1.511400    
 H    2.053000     -0.9787000       1.511600    
 H    2.514100      0.7752000     -0.9524000    
 H    2.593800     -0.9793000     -0.9256000    
 H    4.470900     -0.8518000      0.7589000    
 H    4.407400      0.9102000      0.6688000    
 H   -2.933900       2.554500     -0.4842000    
 H    4.948500      0.8026000      -1.776600    
 H    6.193200      1.2900000E-02 -0.7931000    
 H    5.013600     -0.9683000      -1.679400    
 H   -3.271800      -2.670300     -0.5450000    
 H   -2.160000      -3.300000      0.6995000    
 H   -1.673800      -3.313500      -1.007400    
 H  -0.9543000       4.053200      6.9600001E-02


%chk=000169316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169316

0 1
O 0.401436 -2.530111 0.512540
O -3.640567 -0.380272 -0.661379
N 0.393205 -0.187613 0.507013
N -1.598249 -1.444425 -0.064229
N -2.069475 2.261509 -0.232606
N 0.120181 2.282081 0.396864
C 1.827272 -0.131368 0.891307
C 2.767722 -0.112119 -0.333436
C -0.333204 0.969497 0.276558
C -1.680332 0.923689 -0.110504
C 4.251598 -0.051840 0.094112
C -0.223024 -1.447291 0.324736
C -2.422623 -0.293187 -0.312033
C 5.211569 -0.026861 -1.114969
C -2.212744 -2.782351 -0.227678
C -0.964206 3.035080 0.079029
H 1.966517 0.782006 1.495331
H 2.031025 -1.020252 1.511596
H 2.527346 0.764629 -0.965646
H 2.591917 -1.021607 -0.939428
H 4.485165 -0.926515 0.734451
H 4.418344 0.849877 0.718061
H -3.002144 2.573911 -0.502723
H 5.016386 0.852744 -1.756607
H 6.267312 0.017891 -0.790882
H 5.086301 -0.932242 -1.737715
H -3.260735 -2.627049 -0.523187
H -2.155756 -3.342154 0.719911
H -1.672901 -3.354715 -0.999490
H -0.975235 4.121856 0.067102


