%chk=000102955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102955

0 1
 O   -2.933600      9.1200002E-02 -0.9842000    
 O   0.2371000      -3.311600     -0.1405000    
 O   -6.722400     -0.8729000      0.6799000    
 O    1.478500       2.574900     -0.3331000    
 O    2.686000      -2.595000      0.2700000    
 N   -1.032100       2.073800     -0.7714000    
 C   0.6727000      0.3447000     -0.3235000    
 C   0.9921000      -1.005500     -0.1653000    
 C  -0.6468000      0.7224000     -0.5997000    
 C    3.105800      0.9690000      9.2500001E-02
 C    3.425100     -0.3812000      0.2506000    
 C   -1.640500     -0.2501000     -0.7166000    
 C    1.717900       1.381300     -0.2006000    
 C    2.380100      -1.417800      0.1271000    
 C   -5.060800      0.7211000     -7.0299998E-02
 C  -8.0000004E-03  -1.978200     -0.2835000    
 C   -3.913700     -0.2819000     -1.8800000E-02
 C   -6.156300      0.4067000      0.9498000    
 C   -1.321700      -1.597300     -0.5588000    
 C    4.105500       1.941600      0.2124000    
 C    4.744300     -0.7587000      0.5289000    
 C   -7.265800       1.448900      0.9181000    
 C    5.418900       1.561100      0.4896000    
 C    5.737500      0.2138000      0.6475000    
 H   -5.478200      0.7150000      -1.085600    
 H   -4.665900       1.731400      9.3599997E-02
 H   -3.481300     -0.2919000      0.9902000    
 H   -4.274000      -1.288800     -0.2571000    
 H   -5.720900      0.3725000       1.955100    
 H   -2.097200      -2.353000     -0.6604000    
 H    3.885600       2.999300      9.4400004E-02
 H    5.020200      -1.802000      0.6568000    
 H   -8.038800       1.209700       1.656300    
 H   -7.759200       1.465300     -5.9900001E-02
 H   -6.878200       2.449300       1.133200    
 H   -2.000500       2.294700     -0.9645000    
 H  -0.3581000       2.821700     -0.6950000    
 H    6.194000       2.316300      0.5826000    
 H    6.760800     -7.9800002E-02  0.8633000    
 H  -0.5891000      -3.810500     -0.2588000    
 H   -7.393200      -1.047400       1.361800    


%chk=000102955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102955

0 1
O -2.841931 0.782725 0.160278
O 0.121005 -3.107878 0.553086
O -6.564451 -1.009672 -0.464735
O 1.794003 2.739993 -0.326339
O 2.726265 -2.670217 0.405461
N -0.763187 2.398964 -0.169727
C 0.847957 0.535619 0.024459
C 1.078089 -0.887113 0.213674
C -0.485298 1.068021 0.006375
C 3.355282 0.927881 -0.134422
C 3.589140 -0.461269 0.052839
C -1.593686 0.159760 0.184034
C 1.972480 1.467997 -0.153700
C 2.460946 -1.434161 0.236911
C -5.256492 0.865231 0.269441
C -0.050422 -1.732577 0.374841
C -4.042796 -0.061208 0.348351
C -6.564966 0.096405 0.522133
C -1.376171 -1.205061 0.360731
C 4.451246 1.813652 -0.304219
C 4.919906 -0.949996 0.068171
C -7.810012 0.984450 0.368310
C 5.768678 1.320148 -0.287695
C 6.003799 -0.067860 -0.100789
H -5.297351 1.329848 -0.732725
H -5.157601 1.672358 1.018771
H -3.978940 -0.559231 1.338266
H -4.089954 -0.828502 -0.445225
H -6.543294 -0.335398 1.548774
H -2.222931 -1.889003 0.488155
H 4.235739 2.877017 -0.445808
H 5.066924 -2.024643 0.214465
H -8.736981 0.411652 0.562435
H -7.864534 1.395354 -0.655650
H -7.785423 1.827655 1.082779
H -1.734862 2.702703 -0.174204
H 0.053844 3.019931 -0.295593
H 6.613195 2.005478 -0.418985
H 7.029941 -0.451480 -0.088498
H -0.762185 -3.552513 0.638213
H -7.439175 -1.472964 -0.436540


