%chk=000178786.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178786

0 1
 O    2.738800      0.2951000     -0.3400000    
 O    2.559900       2.946900     -0.2350000    
 O    2.633500      -1.655400       1.030000    
 N   -3.417300      0.6044000     -0.2122000    
 C   -2.200700     -0.1485000      0.1899000    
 C  -0.9157000      0.6753000      5.4000001E-02
 C   -2.045000      -1.451100     -0.6275000    
 C  -0.9800000       2.081800      9.3000000E-03
 C   -3.450400       1.905200      0.4752000    
 C   0.3381000      1.2400000E-02  3.8600001E-02
 C   -2.306800       2.788200     -1.5500000E-02
 C  -0.7846000      -2.194900     -0.2460000    
 C   0.3806000      -1.467500      7.9599999E-02
 C    1.500400      0.7999000     -5.0099999E-02
 C   0.1973000       2.830800     -8.0799997E-02
 C   -4.650400     -0.1288000      9.3699999E-02
 C    1.431000       2.192400     -0.1070000    
 C  -0.7733000      -3.598300     -0.2590000    
 C    1.530000      -2.197400      0.4318000    
 C   0.3813000      -4.295100      8.2699999E-02
 C    1.529900      -3.595400      0.4337000    
 C    3.103200      0.2385000      -1.714900    
 C    3.200300       3.361500      0.9692000    
 H   -2.280100     -0.4080000       1.257100    
 H   -2.005500      -1.235700      -1.703600    
 H   -2.900600      -2.112200     -0.4521000    
 H   -3.392100       1.772800       1.564400    
 H   -4.390400       2.430700      0.2645000    
 H   -2.262500       3.687400      0.6106000    
 H   -2.505000       3.108800      -1.046300    
 H   0.1483000       3.915600     -0.1426000    
 H   -4.713100     -0.4098000       1.151000    
 H   -4.741900      -1.031300     -0.5174000    
 H   -5.530300      0.4782000     -0.1503000    
 H   -1.667900      -4.153600     -0.5289000    
 H   0.3812000      -5.381000      8.6700000E-02
 H    2.407600      -4.159500      0.7399000    
 H    3.303000      -2.340400       1.195800    
 H    2.321900     -0.2463000      -2.309800    
 H    4.017700     -0.3554000      -1.799500    
 H    3.306200       1.238400      -2.109300    
 H    2.529200       3.989400       1.563800    
 H    4.084200       3.947800      0.7033000    
 H    3.519300       2.493100       1.554300    


%chk=000178786-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178786

0 1
O 2.701757 0.249990 -0.423771
O 2.483965 3.123170 -0.324486
O 2.275441 -1.425926 1.634838
N -3.469234 0.541646 -0.133818
C -2.211237 -0.193291 0.162012
C -0.979214 0.718063 0.123555
C -1.953148 -1.344960 -0.851021
C -1.084887 2.125245 0.037511
C -3.526638 1.838275 0.588381
C 0.300969 0.077125 0.092947
C -2.451818 2.788080 0.041341
C -0.741306 -2.137914 -0.389649
C 0.346821 -1.404899 0.173858
C 1.458554 0.870005 -0.139288
C 0.092409 2.904436 -0.052616
C -4.672866 -0.274379 0.132757
C 1.353445 2.290649 -0.142628
C -0.708318 -3.548495 -0.442536
C 1.375825 -2.137690 0.830519
C 0.394273 -4.253040 0.092004
C 1.423225 -3.551290 0.752968
C 3.154465 0.483869 -1.816491
C 3.555557 2.947866 0.682895
H -2.271600 -0.659282 1.185187
H -1.800446 -0.888741 -1.849427
H -2.824637 -2.017683 -0.922831
H -3.388465 1.702257 1.692426
H -4.530570 2.274261 0.433458
H -2.425568 3.718285 0.641374
H -2.727614 3.073946 -0.992719
H 0.044337 3.998522 -0.078521
H -4.744301 -0.614293 1.197587
H -4.692186 -1.168839 -0.511831
H -5.573168 0.321236 -0.099207
H -1.546307 -4.093277 -0.891382
H 0.433111 -5.346277 0.033753
H 2.243213 -4.098168 1.236835
H 3.027912 -2.002938 1.915729
H 2.430935 0.047069 -2.530728
H 4.122091 -0.035325 -1.899370
H 3.277845 1.564024 -2.016235
H 3.184417 3.239411 1.683888
H 4.363938 3.626680 0.369972
H 3.908325 1.901599 0.704059


