%chk=000101227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101227

0 1
 O   -1.660200     -0.1078000      -2.226000    
 O    3.271800       2.699800      0.2103000    
 O    1.393900       1.978800     -0.6791000    
 N    2.505100       1.773500     -0.1393000    
 C    2.120900     -0.6506000     -0.2742000    
 C    2.914800      0.4286000      8.5900001E-02
 C   0.8069000     -0.4544000     -0.9114000    
 C   -2.882700     -9.1100000E-02 -0.2236000    
 C    2.539000      -1.954400     -4.6500001E-02
 C    4.152900      0.1998000      0.6864000    
 C  -0.3531000     -0.3518000     -0.2457000    
 C   -1.647400     -0.1673000     -0.9871000    
 C    3.777200      -2.182900      0.5539000    
 C    4.584100      -1.106000      0.9203000    
 C   -2.871600      0.4286000       1.070900    
 C   -4.078900     -0.5371000     -0.7858000    
 C   -4.056500      0.5020000       1.803200    
 C   -5.263800     -0.4636000     -5.3300001E-02
 C   -5.252400      5.6000002E-02   1.241100    
 H   0.8395000     -0.3997000      -1.997100    
 H    1.922000      -2.804300     -0.3272000    
 H    4.812500       1.009700      0.9873000    
 H  -0.3631000     -0.4426000      0.8344000    
 H    4.113100      -3.199600      0.7360000    
 H    5.548100      -1.284800       1.387700    
 H   -1.970800      0.8199000       1.533700    
 H   -4.107600     -0.9489000      -1.791300    
 H   -4.049800      0.9141000       2.808100    
 H   -6.195300     -0.8113000     -0.4905000    
 H   -6.175400      0.1149000       1.810700    


%chk=000101227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101227

0 1
O -1.663119 0.373281 -2.049222
O 4.421019 2.191557 -1.481869
O 2.162898 2.337577 -1.222772
N 3.291820 1.731684 -1.053768
C 2.107792 -0.299118 -0.085189
C 3.306331 0.448270 -0.303099
C 0.799562 0.031952 -0.681030
C -2.989126 -0.149724 -0.104145
C 2.242673 -1.482237 0.700339
C 4.558169 0.045384 0.213239
C -0.405658 -0.253575 -0.098930
C -1.679971 0.019332 -0.825150
C 3.479203 -1.885036 1.239533
C 4.646553 -1.122627 0.992591
C -3.090957 -0.336590 1.302057
C -4.180923 -0.096449 -0.878700
C -4.355540 -0.468105 1.915576
C -5.441398 -0.235025 -0.267611
C -5.532810 -0.422678 1.133540
H 0.771273 0.518842 -1.662855
H 1.358586 -2.110382 0.847112
H 5.434695 0.663075 0.001799
H -0.450919 -0.671812 0.912381
H 3.538051 -2.801057 1.836583
H 5.612125 -1.435231 1.401751
H -2.195096 -0.356732 1.931001
H -4.083277 0.059597 -1.958136
H -4.423891 -0.601988 3.000675
H -6.351767 -0.196132 -0.875500
H -6.513097 -0.528553 1.611600


