%chk=000068951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068951

0 1
 O  -0.6152000       2.242900       2.024300    
 O    2.526800      -1.679900      0.7954000    
 O    3.683000     -0.6030000      -1.490800    
 N   -2.447500      0.2461000     -0.5176000    
 C  -0.9414000       1.753700      0.7241000    
 C   -2.099200      0.7515000      0.8088000    
 C   -3.517100     -0.7200000     -0.4501000    
 C   0.2983000       1.119500      0.1326000    
 C   -3.109500      -1.900900      0.4212000    
 C   -3.914100      -1.176700      -1.848500    
 C   0.8434000      3.5000001E-03  0.7436000    
 C   0.8611000       1.669300      -1.006300    
 C    1.986900     -0.5809000      0.1987000    
 C    2.004200       1.085100      -1.551100    
 C    2.567100     -4.0199999E-02 -0.9488000    
 C    1.873100      -2.170000       1.964500    
 H   -1.255500       2.620100      0.1289000    
 H   -2.962500       1.259600       1.258700    
 H   -1.822200     -3.9099999E-02   1.512100    
 H   -4.406800     -0.2551000     -5.1000002E-03
 H   -2.710400       1.023900      -1.122100    
 H   -3.816900      -2.729200      0.2950000    
 H   -2.117100      -2.282600      0.1543000    
 H   -3.118100      -1.660500       1.488900    
 H   -4.232700     -0.3285000      -2.464900    
 H   -4.749000      -1.884400      -1.804900    
 H   -3.080500      -1.671600      -2.359600    
 H   0.3670000     -0.3662000       1.643500    
 H   0.4315000       2.544900      -1.484000    
 H   0.2017000       2.766300       1.954600    
 H    2.451400       1.510800      -2.445200    
 H    3.933700      -1.369800     -0.9468000    
 H   0.8544000      -2.508700       1.746300    
 H    1.905400      -1.440500       2.780900    
 H    2.433300      -3.048300       2.301900    


%chk=000068951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068951

0 1
O -0.701410 2.138974 2.102277
O 2.998140 -1.477620 1.179836
O 3.615422 -1.132710 -1.398323
N -2.811947 0.476439 -0.448240
C -0.958549 1.641611 0.730174
C -2.211360 0.744044 0.872245
C -3.742644 -0.681734 -0.540965
C 0.257682 0.925694 0.160328
C -2.958323 -2.012709 -0.518058
C -4.555322 -0.550767 -1.845333
C 1.025768 0.075387 1.003365
C 0.628364 1.077313 -1.194201
C 2.136085 -0.604607 0.476649
C 1.745722 0.390131 -1.724279
C 2.502925 -0.451213 -0.892370
C 2.702995 -1.726864 2.590756
H -1.215118 2.496744 0.065061
H -2.903439 1.249848 1.586226
H -1.909515 -0.212324 1.333625
H -4.463159 -0.687957 0.316757
H -3.242773 1.325494 -0.839779
H -3.652229 -2.871805 -0.579202
H -2.260260 -2.048900 -1.373071
H -2.365399 -2.124484 0.407598
H -5.163604 0.374758 -1.851203
H -5.241778 -1.407091 -1.966985
H -3.871906 -0.523265 -2.713980
H 0.734341 -0.032112 2.053312
H 0.034720 1.725399 -1.847775
H 0.165243 2.619831 2.097402
H 2.040515 0.496413 -2.772277
H 4.011232 -1.669468 -0.660865
H 1.703889 -2.187967 2.710273
H 2.751959 -0.789356 3.177213
H 3.480334 -2.424028 2.936308


