%chk=000127679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127679

0 1
 O   -1.627500     -0.3272000      0.4228000    
 O    2.301700      -1.559300      0.5643000    
 O   -3.459300      -1.752100      -1.268800    
 O   -3.147400       1.716400       1.750600    
 O   -1.185800       1.088600      -1.358200    
 O   0.1092000      -2.199100      0.6307000    
 N   -2.992700     -2.7300000E-02  0.2197000    
 C   -5.133700     -0.1365000     -0.6016000    
 C   -5.030100       1.015100      0.4007000    
 C   -3.768400     -0.7690000     -0.6134000    
 C   -3.611900      0.9713000      0.9017000    
 C    2.883200      0.6471000     -0.2746000    
 C   0.5574000     -2.7700000E-02 -0.2048000    
 C    3.266600     -0.5813000      0.2538000    
 C    1.469700      0.9054000     -0.5015000    
 C  -0.8423000      0.3263000     -0.4697000    
 C    3.869500       1.591700     -0.5692000    
 C   0.9422000      -1.341400      0.3583000    
 C    4.603600     -0.8915000      0.4946000    
 C    5.215000       1.294800     -0.3329000    
 C    5.580800      5.5799998E-02  0.1976000    
 H   -5.381500      0.2289000      -1.602600    
 H   -5.880100     -0.8712000     -0.2861000    
 H   -5.722900      0.8776000       1.236000    
 H   -5.223900       1.978700     -7.9599999E-02
 H    1.199500       1.874700     -0.9093000    
 H    3.606400       2.562100     -0.9829000    
 H    4.886200      -1.855000      0.9072000    
 H    5.979500       2.031500     -0.5633000    
 H    6.628000     -0.1685000      0.3788000    


%chk=000127679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127679

0 1
O -1.757351 -0.521181 0.379603
O 2.416446 -1.389491 0.953371
O -3.362905 -1.265729 -1.923134
O -3.318526 1.248465 2.066527
O -1.194568 1.416413 -0.841379
O 0.251403 -2.055698 1.338372
N -3.105537 -0.125443 0.142938
C -5.233774 0.016539 -0.841356
C -5.219590 0.844372 0.473699
C -3.823774 -0.563329 -1.003649
C -3.801275 0.727479 1.043320
C 2.960589 0.629572 -0.324593
C 0.587403 0.016675 0.046499
C 3.361423 -0.526597 0.413939
C 1.554945 0.864316 -0.483392
C -0.822989 0.412263 -0.207485
C 3.968571 1.486563 -0.860488
C 0.958277 -1.192409 0.808437
C 4.724349 -0.830127 0.620573
C 5.324384 1.191557 -0.660123
C 5.697143 0.032649 0.081050
H -5.464264 0.627304 -1.730370
H -5.957347 -0.815927 -0.818071
H -5.934428 0.469742 1.225955
H -5.443422 1.912097 0.311231
H 1.209864 1.743560 -1.041069
H 3.666149 2.373975 -1.427922
H 4.993599 -1.722992 1.191260
H 6.098402 1.847130 -1.070210
H 6.757801 -0.192848 0.234767


