%chk=000088696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088696

0 1
 O    2.513500      -2.434000     -4.1499998E-02
 O   -2.598000       2.008700       1.412600    
 O    5.822700      0.6611000      -1.518400    
 O   -6.008200      0.2372000      -1.406000    
 N  -4.0300000E-02 -0.2232000      0.7007000    
 C    1.168700     -0.4266000       1.483100    
 C   -1.230300     -0.4978000       1.506700    
 C    2.410800     -0.1501000      0.6782000    
 C   -2.494800     -0.2898000      0.7403000    
 C    3.019400      -1.168900     -4.2599998E-02
 C   -3.123700      0.9551000      0.7271000    
 C    2.931400       1.137400      0.6720000    
 C   -3.046400      -1.357700      3.2400001E-02
 C    4.169400     -0.8956000     -0.7831000    
 C   -4.304300       1.132200      5.7999999E-03
 C    4.081400       1.410700     -6.8400003E-02
 C   -4.227000      -1.180400     -0.6889000    
 C    4.700500      0.3942000     -0.7959000    
 C   -4.856100      6.4499997E-02 -0.7021000    
 C    2.989700      -3.321400      0.9683000    
 C   -1.673200       2.839700      0.7139000    
 C    6.311600       2.001100      -1.487200    
 C   -6.516900     -0.8965000      -2.107100    
 H    1.164600      0.2419000       2.354700    
 H    1.195000      -1.440400       1.897100    
 H   -1.202600      -1.532500       1.874800    
 H   -1.235300      0.1316000       2.405900    
 H  -3.0900000E-02 -0.8517000     -0.1032000    
 H    2.455900       1.937400       1.232900    
 H   -2.565000      -2.332300      3.2699998E-02
 H    4.652400      -1.686600      -1.351300    
 H   -4.795700       2.101900     -4.9999999E-03
 H    4.439800       2.433800     -3.4899998E-02
 H   -4.600200      -2.051400      -1.216600    
 H    3.974600      -3.705000      0.6842000    
 H    3.054800      -2.832200       1.945500    
 H    2.294700      -4.162200       1.041900    
 H  -0.9878000       3.280700       1.442700    
 H   -1.090500       2.284100     -2.7300000E-02
 H   -2.220500       3.644900      0.2145000    
 H    7.207900       2.032800      -2.115200    
 H    5.591500       2.702400      -1.922300    
 H    6.618400       2.294100     -0.4773000    
 H   -5.824600      -1.231300      -2.886900    
 H   -6.791100      -1.704600      -1.420400    
 H   -7.436100     -0.5794000      -2.610600    


%chk=000088696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088696

0 1
O 1.931523 -1.909942 0.102363
O -2.848753 2.315356 0.937429
O 6.006815 0.376537 -1.214148
O -6.008562 -0.317032 -1.523361
N -0.060675 0.123792 1.044984
C 1.158027 0.093249 1.901746
C -1.315854 -0.055688 1.832510
C 2.434394 0.213396 1.089450
C -2.533800 -0.139876 0.931870
C 2.823983 -0.821176 0.184327
C -3.233275 1.026708 0.496520
C 3.288054 1.327467 1.198368
C -3.039759 -1.392227 0.516359
C 4.012811 -0.738520 -0.564999
C -4.379845 0.931039 -0.313900
C 4.492692 1.443081 0.462189
C -4.183334 -1.515522 -0.306518
C 4.847018 0.398579 -0.420855
C -4.856652 -0.339142 -0.717831
C 2.295920 -3.025562 -0.774586
C -1.671239 2.889410 0.238266
C 6.905199 1.528903 -1.120382
C -6.543469 -1.604794 -1.967318
H 1.097519 0.941548 2.610417
H 1.198170 -0.841752 2.515521
H -1.272516 -0.972122 2.472455
H -1.415431 0.813942 2.509888
H 0.013029 -0.602931 0.316020
H 3.004768 2.136115 1.882392
H -2.531140 -2.303217 0.856989
H 4.325603 -1.518755 -1.263069
H -4.911671 1.836338 -0.618640
H 5.121972 2.328220 0.586343
H -4.537958 -2.507992 -0.598694
H 2.366999 -2.699736 -1.830317
H 3.254691 -3.482196 -0.462263
H 1.481665 -3.757043 -0.665184
H -1.458485 3.837047 0.758019
H -0.810529 2.195066 0.301481
H -1.924499 3.093111 -0.821392
H 7.729727 1.308426 -1.814215
H 6.396005 2.462405 -1.429766
H 7.302846 1.647287 -0.093486
H -5.808406 -2.156352 -2.586106
H -6.848459 -2.233829 -1.108015
H -7.425921 -1.355715 -2.575060


