%chk=000049040.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049040

0 1
 O  -0.4334000       1.358300     -6.5099999E-02
 O    5.638800      6.4900003E-02  0.6560000    
 O   0.3725000       3.430400     -0.6619000    
 N   -5.066000     -5.0999999E-02  0.1619000    
 C   -7.445500      -1.727600     -0.1875000    
 C   -6.051500      -2.173000     -0.6425000    
 C   -7.317800     -0.7073000      0.9488000    
 C   -5.165400     -0.9717000     -0.9785000    
 C   -6.390100      0.4456000      0.5595000    
 C   -4.175400       1.064600     -0.1572000    
 C   -8.290800      -2.923600      0.2414000    
 C   -2.719500      0.6507000      3.1599998E-02
 C   -1.767900       1.799700     -0.2725000    
 C   0.5444000       2.277800     -0.2970000    
 C    1.886600       1.694300     -4.6799999E-02
 C    7.232700      -1.615200      2.8999999E-02
 C    5.791600      -1.335800      0.4316000    
 C    7.464400      -3.098800     -0.2431000    
 C    3.029900       2.472600     -0.2278000    
 C    2.004300      0.3683000      0.3697000    
 C    4.408500      0.5988000      0.4242000    
 C    4.290900       1.924900      7.7000000E-03
 C    3.265300     -0.1795000      0.6051000    
 C    8.893500      -3.367300     -0.6865000    
 H   -7.948600      -1.242500      -1.034600    
 H   -5.572100      -2.769500      0.1450000    
 H   -6.135900      -2.820200      -1.523800    
 H   -8.306200     -0.3074000       1.204700    
 H   -6.929700      -1.197200       1.851500    
 H   -5.569000     -0.4589000      -1.861900    
 H   -4.179400      -1.360400      -1.254300    
 H   -6.295900       1.107500       1.429200    
 H   -6.846600       1.031500     -0.2492000    
 H   -4.351500       1.451100      -1.169300    
 H   -4.361000       1.901100      0.5299000    
 H   -7.836900      -3.450500       1.087700    
 H   -9.293600      -2.601900      0.5416000    
 H   -8.399500      -3.636900     -0.5823000    
 H   -2.452300     -0.1952000     -0.6123000    
 H   -2.550500      0.3060000       1.060300    
 H   -1.888500       2.120800      -1.313900    
 H   -1.977900       2.647200      0.3908000    
 H    7.480700      -1.023100     -0.8610000    
 H    7.907100      -1.263500      0.8198000    
 H    7.251100      -3.680700      0.6612000    
 H    6.777200      -3.447400      -1.022900    
 H    5.140900      -1.686400     -0.3802000    
 H    5.546900      -1.874200       1.354400    
 H    2.959700       3.507600     -0.5516000    
 H    1.140500     -0.2710000      0.5289000    
 H    5.178200       2.535900     -0.1346000    
 H    3.311600      -1.206600      0.9551000    
 H    9.126500      -2.825900      -1.609000    
 H    9.037700      -4.435900     -0.8743000    
 H    9.607600      -3.058200      8.3400004E-02


%chk=000049040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049040

0 1
O -0.509380 1.284386 -0.092995
O 5.794386 0.041518 -0.091911
O 0.299648 3.472404 -0.117902
N -5.278939 0.006731 0.216921
C -7.690881 -1.686923 -0.148148
C -6.268965 -2.159049 -0.536875
C -7.575235 -0.621640 0.969149
C -5.354338 -0.971422 -0.898852
C -6.629521 0.524283 0.559458
C -4.318176 1.106771 -0.039108
C -8.592602 -2.866219 0.272370
C -2.845320 0.640845 -0.009983
C -1.892503 1.835027 -0.085659
C 0.523800 2.233987 -0.105747
C 1.866473 1.601112 -0.101392
C 7.557875 -1.618370 -0.089501
C 6.041687 -1.416314 -0.085110
C 7.939763 -3.116931 -0.091162
C 3.012368 2.445054 -0.110086
C 2.044258 0.194958 -0.088130
C 4.470608 0.486112 -0.093862
C 4.302145 1.896801 -0.106038
C 3.335566 -0.368119 -0.084626
C 9.468296 -3.333698 -0.094233
H -8.142015 -1.197047 -1.039357
H -5.822583 -2.706756 0.316690
H -6.318346 -2.858767 -1.394616
H -8.574046 -0.206652 1.209629
H -7.180366 -1.099792 1.887558
H -5.739423 -0.479604 -1.833643
H -4.337472 -1.341775 -1.119013
H -6.523393 1.243384 1.393603
H -7.082487 1.081209 -0.305015
H -4.527593 1.623083 -1.014229
H -4.464389 1.863421 0.757493
H -8.173129 -3.381111 1.158163
H -9.610585 -2.520720 0.533762
H -8.684776 -3.612325 -0.539330
H -2.627222 -0.038972 -0.854133
H -2.669464 0.077687 0.924193
H -2.038568 2.433220 -1.005134
H -1.998233 2.512646 0.782264
H 7.985038 -1.118983 -0.980060
H 7.990790 -1.119230 0.798405
H 7.498779 -3.612960 0.797567
H 7.495497 -3.611379 -0.979140
H 5.575887 -1.872311 -0.983502
H 5.581981 -1.863131 0.820957
H 2.862516 3.529506 -0.119619
H 1.162222 -0.451481 -0.079986
H 5.194006 2.530245 -0.112271
H 3.447520 -1.455784 -0.074302
H 9.932189 -2.874799 -0.987255
H 9.721879 -4.409314 -0.096317
H 9.935469 -2.877511 0.798460


