%chk=000157885.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157885

0 1
 O  -0.2821000       1.256800       1.290700    
 N    1.140900     -0.3475000      0.4213000    
 N   -1.224900     -0.5926000      0.2681000    
 C   0.2052000      -2.539700     -0.1697000    
 C    1.349900      -1.568500     -0.3520000    
 C   -1.079500      -1.818700     -0.5114000    
 C  -0.1324000      0.1827000      0.6979000    
 C    2.338900      0.4066000      0.7663000    
 C   -2.585700     -0.1050000      0.4501000    
 C    2.720400       1.271300     -0.3888000    
 C   -2.985900      0.6839000     -0.7521000    
 C    3.903100       1.205400      -1.010800    
 C   -3.368100       1.965300     -0.7097000    
 H   0.3378000      -3.418100     -0.8097000    
 H   0.1726000      -2.886000      0.8708000    
 H    2.282200      -2.045800     -3.0700000E-02
 H    1.455800      -1.282400      -1.404700    
 H   -1.101900      -1.545300      -1.572600    
 H   -1.928400      -2.480800     -0.3092000    
 H    2.131700       1.047600       1.630300    
 H    3.133700     -0.2875000       1.060700    
 H   -3.263000     -0.9525000      0.5987000    
 H   -2.629600      0.5090000       1.356800    
 H    1.997900       2.008700     -0.7298000    
 H   -2.991000      0.1776000      -1.714100    
 H    4.125300       1.867800      -1.840300    
 H    4.664300      0.4951000     -0.7076000    
 H   -3.660100       2.481500      -1.617700    
 H   -3.395400       2.519200      0.2221000    


%chk=000157885-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157885

0 1
O -0.310965 1.241865 1.383069
N 1.123318 -0.280976 0.335689
N -1.247851 -0.598067 0.281898
C 0.223893 -2.492912 -0.306195
C 1.364051 -1.479049 -0.491727
C -1.119467 -1.794400 -0.571040
C -0.154156 0.178265 0.694259
C 2.294044 0.535648 0.719968
C -2.607652 -0.080709 0.559013
C 2.954838 1.206477 -0.470794
C -3.251060 0.587092 -0.647433
C 4.256346 1.050736 -0.819929
C -3.605728 1.894641 -0.688184
H 0.354563 -3.337146 -1.007045
H 0.239730 -2.892004 0.724324
H 2.330882 -1.921907 -0.184876
H 1.463261 -1.206352 -1.564169
H -1.197521 -1.530458 -1.648581
H -1.962462 -2.474120 -0.339909
H 1.914947 1.299383 1.423535
H 3.029489 -0.101014 1.251942
H -3.232516 -0.932709 0.899723
H -2.517859 0.641881 1.385737
H 2.300787 1.868228 -1.058208
H -3.433233 -0.050637 -1.526783
H 4.692452 1.579848 -1.674579
H 4.928818 0.398109 -0.247594
H -4.071841 2.339517 -1.575301
H -3.427407 2.558872 0.166089


