%chk=000146334.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146334

0 1
 O    2.405400      -2.237900      0.1835000    
 O    2.439900      0.5248000     -0.5940000    
 O   -3.881400      -1.066700      0.3414000    
 O   -6.651000      -1.008900      0.3554000    
 O   -2.461900       1.301500      0.1285000    
 N   -1.186800      -1.628700     -0.3706000    
 C    1.218000      -1.441600      9.3099996E-02
 C   5.9700001E-02  -2.370800     -0.2387000    
 C    1.401700     -0.3795000     -0.9791000    
 C    3.570700     -0.1252000     -0.1585000    
 C    3.543800      -1.475300      0.2081000    
 C    4.769900      0.6199000     -7.8900002E-02
 C    5.950600     -3.6300000E-02  0.3496000    
 C   -2.291200      -2.520100     -0.6981000    
 C    4.711600      -2.113800      0.6137000    
 C    5.905700      -1.398500      0.6849000    
 C   -3.580400      -1.734300     -0.8770000    
 C    4.850100       1.989000     -0.4138000    
 C    7.155400      0.6813000      0.4318000    
 C    6.055600       2.686800     -0.3254000    
 C    7.206800       2.033400      9.7000003E-02
 C   -4.545800      0.1280000      0.2437000    
 C   -5.937000      0.1470000      0.2527000    
 C   -3.824000       1.312900      0.1373000    
 C   -6.613400       1.362900      0.1543000    
 C   -4.500600       2.528800      3.8899999E-02
 C   -5.895200       2.553700      4.7400001E-02
 C   -8.072500     -0.8944000      0.3567000    
 C   -1.803900       2.562000      1.6200000E-02
 H    1.051900     -0.9740000       1.074000    
 H   0.2848000      -2.912300      -1.167000    
 H  -2.3100000E-02  -3.131600      0.5483000    
 H   0.4990000      0.2234000      -1.116400    
 H    1.665800     -0.8177000      -1.950400    
 H   -1.389100      -1.129600      0.4952000    
 H   -2.425100      -3.248600      0.1109000    
 H   -2.081500      -3.068400      -1.623700    
 H    4.700000      -3.165400      0.8874000    
 H    6.805000      -1.917000       1.011700    
 H   -4.403700      -2.417900      -1.112700    
 H   -3.478000      -1.024300      -1.708400    
 H    3.968600       2.531700     -0.7491000    
 H    8.069800      0.1902000      0.7589000    
 H    6.093000       3.740100     -0.5876000    
 H    8.145900       2.574700      0.1659000    
 H   -7.693600       1.459300      0.1540000    
 H   -4.009300       3.491800     -4.7100000E-02
 H   -6.421900       3.500600     -2.9400000E-02
 H   -8.445500     -0.4856000     -0.5886000    
 H   -8.477100      -1.908100      0.4457000    
 H   -8.431600     -0.3319000       1.225200    
 H   -2.028000       3.050300     -0.9383000    
 H  -0.7268000       2.364900      2.7200000E-02
 H   -2.017400       3.206900      0.8753000    


%chk=000146334-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146334

0 1
O 2.254017 -1.977331 0.591540
O 2.357759 0.290507 -1.249953
O -3.989943 -1.230395 0.511116
O -6.476003 -0.756940 -0.611096
O -2.418892 0.767135 1.381627
N -1.353764 -1.814346 -0.320052
C 1.027041 -1.347344 0.038902
C -0.060234 -2.428780 0.028270
C 1.331183 -0.772784 -1.349153
C 3.463137 -0.086607 -0.453575
C 3.415834 -1.190544 0.415961
C 4.655285 0.702983 -0.565051
C 5.812222 0.332037 0.224261
C -2.459865 -2.769141 -0.525933
C 4.562852 -1.558499 1.178269
C 5.738001 -0.815477 1.084068
C -3.759420 -1.995703 -0.749312
C 4.732117 1.837329 -1.437596
C 7.002139 1.123024 0.113453
C 5.909881 2.585452 -1.521291
C 7.054147 2.229030 -0.739148
C -4.485386 0.074023 0.403815
C -5.774936 0.359402 -0.125363
C -3.690635 1.139935 0.912046
C -6.269432 1.687382 -0.135056
C -4.186633 2.467484 0.914504
C -5.471085 2.724405 0.391216
C -7.834526 -0.529627 -1.109924
C -1.579021 1.824855 1.953496
H 0.737454 -0.515000 0.715920
H 0.195713 -3.195771 -0.729235
H -0.048593 -2.939971 1.021267
H 0.435432 -0.301493 -1.777595
H 1.703115 -1.572850 -2.019398
H -1.642905 -1.097647 0.367406
H -2.603594 -3.463314 0.338414
H -2.255837 -3.394106 -1.419256
H 4.481209 -2.429642 1.835740
H 6.617042 -1.099870 1.672787
H -4.620052 -2.665194 -0.920818
H -3.653221 -1.291301 -1.595529
H 3.853707 2.100355 -2.034104
H 7.877176 0.842543 0.712239
H 5.961183 3.451176 -2.191062
H 7.970422 2.824964 -0.814673
H -7.260768 1.914930 -0.536210
H -3.584369 3.291628 1.305611
H -5.854185 3.750383 0.389513
H -7.834728 0.147033 -1.986562
H -8.199980 -1.523187 -1.408253
H -8.487498 -0.113460 -0.318723
H -1.335157 2.598669 1.200394
H -0.657005 1.317703 2.274881
H -2.068503 2.293456 2.828305


