%chk=000001711.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001711

0 1
 O   -1.760000       3.444500      0.3398000    
 O   -8.069000       1.047300     -4.0800001E-02
 O   -7.779900      -1.195400     -0.2705000    
 N    1.386400      -3.159200      -1.782100    
 N   -1.784200       1.111200      9.5200002E-02
 C    4.645400       2.412700      0.1539000    
 C    5.214100       1.499100     -0.9582000    
 C    3.093900      0.1683000      -1.175400    
 C    4.608000      0.1063000     -0.9211000    
 C    3.113700       2.352700      0.1879000    
 C    2.395500       1.303300     -0.4312000    
 C    5.188500       1.980900       1.532600    
 C    5.163000       3.839200     -0.1484000    
 C    2.500600      -1.213300     -0.9210000    
 C    2.387200       3.349300      0.8730000    
 C   0.9848000       1.342200     -0.4222000    
 C   0.2907000       2.350900      0.2417000    
 C   0.9929000       3.348400      0.9006000    
 C    2.526200      -1.769700      0.3418000    
 C    1.929300      -1.930700      -1.942500    
 C    1.974900      -3.040900      0.5516000    
 C   -1.163700       2.360100      0.2393000    
 C    1.407400      -3.709200     -0.5533000    
 C    1.979900      -3.645000       1.820400    
 C   0.8595000      -4.971700     -0.3441000    
 C    1.425300      -4.908700       2.000900    
 C   0.8642000      -5.572400      0.9170000    
 C   -3.168200      0.8156000      3.4499999E-02
 C   -3.572300     -0.5003000     -0.1120000    
 C   -4.085000       1.849000      0.1239000    
 C   -4.935000     -0.7918000     -0.1710000    
 C   -5.447800       1.557200      6.4999998E-02
 C   -5.872700      0.2369000     -8.2400002E-02
 C   -7.293700     -6.6900000E-02 -0.1428000    
 H    6.305000       1.422400     -0.8664000    
 H    5.017900       1.939100      -1.946000    
 H    2.964500      0.4087000      -2.241500    
 H    5.081900     -0.5194000      -1.688900    
 H    4.849100     -0.3674000      3.7200000E-02
 H    4.893800       2.687000       2.318000    
 H    4.811900      0.9975000       1.834300    
 H    6.283500       1.935300       1.529000    
 H    4.719300       4.235300      -1.069500    
 H    4.938300       4.545900      0.6574000    
 H    6.252300       3.842100     -0.2741000    
 H    2.902000       4.147600       1.401200    
 H   0.4531000      0.5823000     -0.9888000    
 H   0.4789000       4.139900       1.439400    
 H    2.963000      -1.225900       1.176400    
 H    1.878900      -1.545800      -2.955900    
 H    2.416300      -3.133700       2.675700    
 H   -1.195300      0.2833000      6.6399999E-02
 H   0.4139000      -5.512700      -1.177000    
 H    1.430900      -5.372200       2.982700    
 H   0.4289000      -6.558800       1.048800    
 H   -2.850100      -1.309000     -0.1819000    
 H   -3.835900       2.893200      0.2389000    
 H   -5.245600      -1.827000     -0.2859000    
 H   -6.144800       2.387700      0.1380000    
 H   -9.025100      0.8316000     -8.2099997E-02


%chk=000001711-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001711

0 1
O -1.748828 3.484434 0.465632
O -8.189367 0.740681 0.145626
O -7.689041 -1.522206 -0.003804
N 1.799318 -3.296756 -1.992850
N -1.749231 1.151227 0.183681
C 4.795182 2.511513 0.119796
C 5.402490 1.460705 -0.854933
C 3.252817 0.147203 -1.132660
C 4.749722 0.075213 -0.724113
C 3.253044 2.418117 0.130579
C 2.538937 1.314972 -0.428434
C 5.324705 2.260169 1.565898
C 5.267099 3.919340 -0.345785
C 2.579581 -1.208146 -0.928776
C 2.501980 3.463888 0.735691
C 1.121885 1.315007 -0.384146
C 0.386948 2.358895 0.223279
C 1.099656 3.448613 0.783054
C 2.220978 -1.695501 0.334405
C 2.341968 -2.066839 -2.057721
C 1.634639 -2.994090 0.468622
C -1.116065 2.398148 0.293884
C 1.438342 -3.775287 -0.738118
C 1.234142 -3.548650 1.728694
C 0.851310 -5.077520 -0.645159
C 0.662675 -4.821572 1.790922
C 0.470064 -5.590670 0.597017
C -3.134350 0.856903 0.163805
C -3.504175 -0.516966 0.069117
C -4.147120 1.855433 0.231267
C -4.855358 -0.887727 0.042145
C -5.499405 1.470727 0.200788
C -5.870245 0.104278 0.107506
C -7.283919 -0.334633 0.075789
H 6.491566 1.393415 -0.667093
H 5.279996 1.818390 -1.897939
H 3.229533 0.360355 -2.224366
H 5.265356 -0.661600 -1.367531
H 4.832395 -0.299248 0.314419
H 4.884016 2.978547 2.280424
H 5.077761 1.243759 1.921584
H 6.424249 2.378810 1.594335
H 4.823786 4.184703 -1.322607
H 5.004457 4.712340 0.376408
H 6.368046 3.923092 -0.453866
H 3.031714 4.315033 1.176538
H 0.603335 0.481099 -0.874240
H 0.532437 4.266670 1.237889
H 2.370729 -1.079298 1.230040
H 2.612536 -1.714492 -3.063065
H 1.382940 -2.960514 2.642609
H -1.132880 0.335875 0.146652
H 0.716578 -5.641797 -1.573061
H 0.357817 -5.239894 2.756340
H 0.020699 -6.587371 0.664662
H -2.726255 -1.289355 0.014991
H -3.857315 2.903789 0.312184
H -5.150111 -1.939407 -0.030808
H -6.283840 2.230907 0.251432
H -9.113420 0.374187 0.118869


