%chk=000157225.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157225

0 1
 O    4.515100      -1.422700       1.385600    
 O   0.2128000       1.176600      -2.663800    
 O   -3.819500      -2.654900     -0.3715000    
 N    1.392200     -0.1196000      0.6379000    
 N   -2.806300       2.616200      0.9524000    
 C    3.343800      -1.146300     -0.7307000    
 C    1.455700      0.5122000     -0.7074000    
 C    3.881400     -0.4495000      0.5484000    
 C    2.537700     -0.1511000      -1.587400    
 C    2.337500      -2.234900     -0.3006000    
 C    2.681500      0.1433000       1.332200    
 C    1.218900      -1.585300      0.5278000    
 C   9.1899998E-02  0.5278000      -1.401800    
 C    4.910100      0.5972000      0.2309000    
 C  -0.9518000       1.232500     -0.5724000    
 C    6.180400      0.5483000      0.6458000    
 C   -2.118000      0.5898000     -0.1556000    
 C  -0.7060000       2.550500     -0.2364000    
 C   -3.034300       1.331800      0.6189000    
 C   -2.388000     -0.7493000     -0.4849000    
 C   -1.660900       3.194500      0.5239000    
 C   -4.200400      0.6978000       1.039400    
 C   -3.562000      -1.358400     -5.0999999E-02
 C   -4.469200     -0.6335000      0.7120000    
 C   -5.042400      -3.212700      0.1081000    
 H    4.152400      -1.605700      -1.310700    
 H    1.779600       1.554300     -0.5786000    
 H    3.194900      0.6121000      -2.019200    
 H    2.103000     -0.6999000      -2.431400    
 H    2.828600      -3.030400      0.2701000    
 H    1.906900      -2.713200      -1.189400    
 H    2.624200     -0.2605000       2.351600    
 H    2.784800       1.228600       1.464700    
 H   0.2446000      -1.839400      0.1029000    
 H    1.205400      -2.024100       1.533900    
 H  -0.1737000     -0.4953000      -1.655700    
 H    4.601700       1.458300     -0.3565000    
 H    3.834800      -1.961800       1.821400    
 H   0.6640000      0.5764000      -3.279900    
 H    6.861700       1.351200      0.3816000    
 H    6.587900     -0.2598000       1.241000    
 H   0.1782000       3.088600     -0.5568000    
 H   -1.734100      -1.368800      -1.085200    
 H   -1.531700       4.230900      0.8179000    
 H   -4.926400       1.244900       1.638400    
 H   -5.403600      -1.038000       1.086200    
 H   -5.083200      -4.250100     -0.2400000    
 H   -5.912100      -2.698500     -0.3148000    
 H   -5.069300      -3.241100       1.202700    


%chk=000157225-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157225

0 1
O 4.608802 -1.511457 1.437598
O 0.446524 1.505167 -2.707486
O -3.738330 -2.644389 -0.131650
N 1.266638 -0.404773 0.493631
N -2.821928 2.827280 0.840622
C 3.407780 -1.205013 -0.735153
C 1.457429 0.414858 -0.745066
C 3.816115 -0.556835 0.640166
C 2.623203 -0.187199 -1.612763
C 2.461319 -2.411632 -0.485086
C 2.451387 -0.188482 1.371995
C 1.149102 -1.864002 0.182848
C 0.144755 0.623196 -1.555114
C 4.691532 0.665587 0.453608
C -0.925430 1.337707 -0.744035
C 5.971138 0.786852 0.878931
C -2.086446 0.671164 -0.201668
C -0.776860 2.706119 -0.497945
C -3.004181 1.472010 0.594899
C -2.395823 -0.706449 -0.408835
C -1.738313 3.407808 0.291717
C -4.164311 0.853353 1.155079
C -3.545028 -1.280559 0.149029
C -4.442318 -0.497496 0.945884
C -4.934222 -3.293873 0.411278
H 4.329221 -1.530301 -1.249000
H 1.752115 1.424821 -0.398485
H 3.286674 0.606821 -1.997724
H 2.224467 -0.739592 -2.490697
H 2.946018 -3.185726 0.142251
H 2.242282 -2.901529 -1.452354
H 2.348754 -0.820835 2.273612
H 2.454502 0.863691 1.704155
H 0.273752 -2.020732 -0.468665
H 0.930505 -2.385036 1.132059
H -0.222974 -0.353112 -1.930239
H 4.202688 1.511903 -0.050284
H 4.079401 -2.338571 1.562614
H 1.094104 1.044468 -3.300084
H 6.534671 1.713811 0.723179
H 6.467099 -0.038522 1.397859
H 0.066291 3.249359 -0.934376
H -1.756195 -1.351922 -1.016374
H -1.614515 4.480529 0.482504
H -4.827902 1.487274 1.751023
H -5.339771 -0.943065 1.384500
H -4.875119 -4.335419 0.062542
H -5.860132 -2.825309 0.025183
H -4.939668 -3.272947 1.518318


