%chk=000178829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178829

0 1
 O   -4.111700       1.386100     -6.0699999E-02
 O   -5.842200     -0.2731000      0.1051000    
 O    4.596300      -1.812400     -0.7763000    
 O    5.554400      0.5305000      0.3653000    
 N  -0.9253000       1.865400     -0.3927000    
 C  -0.9986000      0.4965000     -0.1737000    
 C  -1.0400000E-02 -0.4124000      1.2500000E-02
 C  -0.5230000      -1.833800      0.1140000    
 C   -2.274900     -0.2454000     -8.4600002E-02
 C   -1.998500      -1.615700      5.8899999E-02
 C    1.437200     -0.1402000      8.2500003E-02
 C   0.1631000       2.723900      0.1046000    
 C    1.001200       2.100200       1.215300    
 C    1.931800       1.043700      0.6673000    
 C   -3.599400      0.1280000     -4.0800001E-02
 C   -2.996000      -2.586600      0.1720000    
 C    2.359500      -1.090800     -0.3895000    
 C   -4.595800     -0.8243000      7.4500002E-02
 C   -1.781800       2.551100      -1.364800    
 C    3.319900       1.252100      0.7530000    
 C   -4.328900      -2.181100      0.1697000    
 C    3.735200     -0.8699000     -0.3005000    
 C    4.215600      0.3015000      0.2703000    
 C   -5.525800       1.127600      1.0700000E-02
 C    5.021100      -2.822100      0.1369000    
 C    6.177300       1.201100     -0.7289000    
 H  -0.2326000      -2.293400       1.064100    
 H  -0.2046000      -2.450200     -0.7318000    
 H  -0.2879000       3.643400      0.4992000    
 H   0.8076000       3.016800     -0.7346000    
 H   0.3771000       1.673700       2.010500    
 H    1.589400       2.896000       1.689600    
 H   -2.740400      -3.636000      0.2764000    
 H    2.018100      -2.017200     -0.8463000    
 H   -2.345300       1.853200      -1.992400    
 H   -1.176100       3.157600      -2.048500    
 H   -2.477200       3.221600     -0.8505000    
 H    3.706200       2.164800       1.202000    
 H   -5.129200      -2.906600      0.2641000    
 H   -6.004000       1.537100     -0.8865000    
 H   -5.932300       1.639900      0.8901000    
 H    5.549400      -2.376700      0.9858000    
 H    5.706500      -3.492700     -0.3885000    
 H    4.164200      -3.404100      0.4908000    
 H    5.748900       2.199800     -0.8602000    
 H    6.066800      0.6204000      -1.650100    
 H    7.242800       1.303800     -0.5059000    


%chk=000178829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178829

0 1
O -4.367970 1.399100 0.004994
O -6.012342 -0.329073 0.013478
O 4.601487 -1.929477 -0.642823
O 5.637028 0.582539 0.479843
N -1.095858 1.989409 -0.273604
C -1.096157 0.592335 -0.187143
C -0.015822 -0.306435 -0.098020
C -0.538673 -1.739619 -0.164765
C -2.362057 -0.191627 -0.182920
C -2.042691 -1.591952 -0.201809
C 1.421289 -0.057536 0.041322
C 0.098667 2.802543 0.028829
C 0.993048 2.209768 1.141000
C 1.940977 1.140509 0.635535
C -3.727312 0.123526 -0.075459
C -3.019255 -2.599062 -0.186419
C 2.357821 -1.064188 -0.342418
C -4.707058 -0.897750 -0.055348
C -2.004439 2.686102 -1.206553
C 3.335601 1.322496 0.744324
C -4.401198 -2.258437 -0.124004
C 3.745380 -0.885981 -0.204671
C 4.251445 0.338661 0.314092
C -5.774690 1.086635 0.366407
C 5.408838 -2.544122 0.435304
C 6.410878 0.607157 -0.782990
H -0.209302 -2.349630 0.700645
H -0.163553 -2.258881 -1.071363
H -0.274815 3.799635 0.341658
H 0.711138 2.963133 -0.887250
H 0.332835 1.803902 1.933352
H 1.574217 3.033207 1.593269
H -2.723588 -3.653343 -0.200918
H 2.020415 -2.014951 -0.766014
H -2.820291 2.032934 -1.536726
H -1.445292 3.023935 -2.107340
H -2.454984 3.571904 -0.721350
H 3.743400 2.242311 1.178713
H -5.188153 -3.016069 -0.109750
H -6.446942 1.725367 -0.224829
H -5.898545 1.218032 1.459977
H 6.033443 -1.787206 0.943876
H 6.041253 -3.295683 -0.062027
H 4.746916 -3.037794 1.172608
H 6.081585 1.455223 -1.413636
H 6.290658 -0.339968 -1.339460
H 7.460367 0.749522 -0.482216


