%chk=000069285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069285

0 1
 O   -1.236700      -1.735100      0.6025000    
 O   -1.079700      0.8761000       1.664200    
 O    2.351700      -1.502700       1.177300    
 O  -0.8384000      -1.934700      -1.660500    
 O   0.5135000       2.230300      0.6910000    
 O    2.719900      -1.677200      -1.093000    
 C   2.0800000E-02  -1.075700      0.7678000    
 C   -4.010000      -1.850300     -0.1115000    
 C   -2.911200      -2.757300     -0.6870000    
 C   -1.622600       3.909300     -0.3483000    
 C    4.991600      0.1164000     -0.8012000    
 C  -8.5600004E-02 -0.1055000       1.938800    
 C    1.080100      -2.140400       1.021100    
 C   -1.802400       2.960600      0.8470000    
 C    4.396200     -0.6862000      0.3661000    
 C   -1.541300      -2.113100     -0.6752000    
 C   -4.134700     -0.5484000     -0.9070000    
 C   -5.350900      -2.586900     -0.1121000    
 C  -0.6406000       2.007400       1.030000    
 C    3.070400      -1.334200      2.7899999E-02
 C   -2.809700       4.870400     -0.4375000    
 C   -1.484100       3.135200      -1.661600    
 C    6.348600      0.6972000     -0.3993000    
 C    4.055000       1.245000      -1.239500    
 H   0.2670000     -0.4886000     -0.1261000    
 H   -3.766900      -1.592200      0.9266000    
 H  -0.7101000       4.501000     -0.2029000    
 H    5.143000     -0.5534000      -1.657100    
 H   -2.842800      -3.695600     -0.1240000    
 H   -3.145200      -3.024400      -1.724900    
 H  -0.4232000     -0.6375000       2.835800    
 H   0.8744000      0.3620000       2.186600    
 H    1.100200      -2.901200      0.2313000    
 H   0.8640000      -2.683700       1.948600    
 H   -2.717600       2.372200      0.7049000    
 H   -1.907400       3.532200       1.776100    
 H    4.250000     -1.7899999E-02   1.224100    
 H    5.083300      -1.484000      0.6706000    
 H   -4.352700     -0.7461000      -1.962000    
 H   -4.941900      7.4299999E-02 -0.5064000    
 H   -3.212900      3.9900001E-02 -0.8550000    
 H   -5.656200      -2.858400      -1.128400    
 H   -5.288700      -3.505900      0.4804000    
 H   -6.138300      -1.962200      0.3227000    
 H   -2.679100       5.574100      -1.266400    
 H   -2.905800       5.454500      0.4838000    
 H   -3.749200       4.330000     -0.5962000    
 H  -0.5942000       2.498900      -1.668700    
 H   -1.395400       3.825300      -2.507800    
 H   -2.356800       2.497400      -1.839300    
 H    6.799600       1.245100      -1.233500    
 H    7.041600     -0.1001000     -0.1106000    
 H    6.252800       1.386500      0.4466000    
 H    3.103000      0.8617000      -1.618500    
 H    4.510400       1.833000      -2.043900    
 H    3.838000       1.925000     -0.4084000    


%chk=000069285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000069285

0 1
O -1.176810 -1.955294 0.148920
O -1.107196 0.835907 1.245196
O 2.434627 -1.645750 1.047286
O -1.702968 -0.547097 -1.644595
O 0.644480 1.984212 0.225682
O 2.918852 -1.575995 -1.234541
C 0.077775 -1.191817 0.410086
C -4.173945 -2.196466 0.263777
C -3.252478 -2.360572 -0.985821
C -1.400320 3.764086 -1.039829
C 5.010352 0.491016 -0.401175
C -0.151734 -0.247477 1.594194
C 1.126652 -2.272670 0.722919
C -1.618516 2.987803 0.286405
C 4.593604 -0.776813 0.399986
C -1.998789 -1.512971 -0.910742
C -4.585841 -0.720879 0.473895
C -5.411216 -3.110797 0.115446
C -0.565606 1.926817 0.540068
C 3.267396 -1.349441 -0.055526
C -2.260257 5.048526 -1.047279
C -1.714563 2.874788 -2.265631
C 6.504983 0.798083 -0.154942
C 4.123177 1.702227 -0.031338
H 0.352291 -0.627233 -0.497263
H -3.592347 -2.527559 1.146742
H -0.330646 4.050580 -1.080533
H 4.867229 0.261090 -1.475758
H -2.959322 -3.423334 -1.077655
H -3.799354 -2.066425 -1.898818
H -0.634510 -0.776167 2.431750
H 0.813126 0.189512 1.907117
H 1.236013 -2.940718 -0.148220
H 0.859578 -2.846907 1.624542
H -2.619026 2.519935 0.315748
H -1.570424 3.695594 1.140388
H 4.552694 -0.563054 1.482116
H 5.354645 -1.568220 0.243190
H -5.124135 -0.333049 -0.412312
H -5.257563 -0.627492 1.347048
H -3.706700 -0.075087 0.652622
H -6.020017 -2.812543 -0.759840
H -5.120891 -4.169994 -0.016689
H -6.056034 -3.044348 1.010923
H -2.116516 5.608016 -1.989692
H -1.997084 5.721120 -0.208883
H -3.337039 4.803784 -0.964324
H -1.134403 1.936114 -2.257595
H -1.485361 3.413647 -3.203437
H -2.787262 2.600465 -2.284272
H 6.815692 1.696367 -0.719248
H 7.151631 -0.042305 -0.470869
H 6.697718 0.993810 0.917825
H 3.048593 1.512338 -0.198329
H 4.403321 2.584456 -0.635957
H 4.257247 1.970279 1.035241


