%chk=000073577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073577

0 1
 O    6.951000      -3.122100     -0.9786000    
 O    4.040600      0.7029000      -2.497600    
 O    4.953600      -3.186500      9.6699998E-02
 O    7.871700      0.8467000       3.018100    
 O    8.620100       1.482100      0.9726000    
 O   -4.745700      -1.583900       2.298100    
 N    4.321700     -0.6880000     -0.6631000    
 N   -1.583200       1.600200      0.3703000    
 N   -4.568900      0.7515000       1.014800    
 N   -6.275100       1.175900      -1.174100    
 N   -7.188900      -1.016100     -0.8148000    
 N   -6.410400      -2.415700      0.9486000    
 N   -8.102700      -3.101000     -0.5231000    
 C    5.659500      -1.119600     -0.9808000    
 C    6.734400     -0.1951000     -0.3966000    
 C    6.772900     -9.8399997E-02   1.134000    
 C   -2.212900       2.842600      4.5699999E-02
 C   -3.570500       2.964200      0.7365000    
 C    2.256500      0.5668000     -0.9819000    
 C  -0.2935000       1.253600     -8.3200000E-02
 C    3.614300      0.2007000      -1.460900    
 C    5.791400      -2.563800     -0.5427000    
 C   -4.549600       1.897700      0.3100000    
 C    1.700500       1.796500      -1.334500    
 C    1.537400     -0.3196000     -0.1801000    
 C   0.4255000       2.140100     -0.8851000    
 C   0.2624000      2.3900000E-02  0.2693000    
 C    7.842000      0.8350000       1.659600    
 C   -5.459600     -0.1705000      0.5968000    
 C   -5.386700       2.105900     -0.7641000    
 C   -6.310200      1.8200001E-02 -0.4803000    
 C   -5.509500      -1.444600       1.347700    
 C   -7.188400      -2.179700     -7.7200003E-02
 H    5.752300      -1.115700      -2.074400    
 H    6.594900      0.8143000     -0.8058000    
 H    7.720400     -0.5276000     -0.7468000    
 H    5.808200      0.2648000       1.504900    
 H    6.962400      -1.090500       1.558600    
 H    3.936400     -0.9987000      0.2227000    
 H   -2.350600       2.929400      -1.039200    
 H   -1.593600       3.683800      0.3802000    
 H   -3.439900       2.900700       1.824800    
 H   -3.998400       3.954400      0.5369000    
 H   -2.057400      0.9324000      0.9683000    
 H    2.247000       2.501900      -1.955100    
 H    1.919700      -1.299100      9.1200002E-02
 H   3.0700000E-02   3.106300      -1.184200    
 H  -0.2912000     -0.6783000      0.8876000    
 H   -5.376900       3.024900      -1.338500    
 H   -7.809800     -0.8770000      -1.602000    
 H    7.028200      -4.061900     -0.7083000    
 H    8.575300       1.436900       3.363100    
 H   -8.700900      -2.910200      -1.319400    
 H   -8.204600      -4.001600     -6.8099998E-02


%chk=000073577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073577

0 1
O 6.859428 -3.054716 -1.461347
O 4.425527 1.362084 -1.845300
O 4.757300 -3.322887 -0.515295
O 7.422780 -0.224263 3.443335
O 8.378590 0.945562 1.680984
O -3.259362 -1.615567 1.364592
N 4.194530 -0.654971 -0.738781
N -1.708100 2.046647 0.156040
N -4.219501 0.956972 0.549613
N -6.758145 1.050151 -0.721656
N -7.009994 -1.263912 -0.304580
N -5.311930 -2.594971 0.787862
N -7.328510 -3.565470 0.137701
C 5.555174 -1.055004 -1.104069
C 6.657397 -0.352927 -0.249945
C 6.510186 -0.631725 1.255141
C -2.411629 3.190249 -0.427103
C -3.820608 3.353767 0.206578
C 2.276485 0.896305 -0.802565
C -0.411094 1.689203 -0.183981
C 3.685956 0.568337 -1.167943
C 5.641714 -2.570926 -0.988196
C -4.704035 2.133987 0.042845
C 1.745237 2.123172 -1.279737
C 1.429771 0.065745 -0.010563
C 0.431069 2.519761 -0.987346
C 0.116028 0.445798 0.292851
C 7.530891 0.120198 2.084034
C -4.962672 -0.172870 0.417813
C -5.974992 2.158867 -0.598687
C -6.243268 -0.102105 -0.208598
C -4.426166 -1.499067 0.901071
C -6.509975 -2.463772 0.223958
H 5.745475 -0.765792 -2.156881
H 6.574715 0.728745 -0.447672
H 7.647306 -0.681502 -0.611522
H 5.502473 -0.335873 1.606794
H 6.609553 -1.708227 1.496192
H 3.603072 -1.370126 -0.309059
H -2.506461 3.087059 -1.532949
H -1.848905 4.127647 -0.241603
H -3.688672 3.550133 1.288404
H -4.310105 4.238843 -0.236707
H -2.314916 1.346021 0.613599
H 2.400509 2.755026 -1.889037
H 1.781257 -0.894140 0.387284
H 0.058264 3.472052 -1.378075
H -0.526087 -0.210824 0.892701
H -6.375385 3.086201 -1.020350
H -7.920868 -1.185901 -0.765964
H 6.884484 -4.045174 -1.364259
H 8.095878 0.294525 3.962516
H -8.265639 -3.546352 -0.256260
H -6.952127 -4.434894 0.510721


