%chk=000042272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042272

0 1
 O   -2.332300       2.051500      -1.354100    
 O    1.028800      -2.079700      0.8703000    
 C   -2.626600       2.892000     -0.2309000    
 C   -3.354100       1.598500     -0.4565000    
 C   -3.020200      0.3465000      0.2944000    
 C   -1.529200       2.945100      0.7646000    
 C   -2.988400     -0.9039000     -0.5897000    
 C   -3.245600       4.184400     -0.6112000    
 C   -2.700100      -2.241200      0.1346000    
 C   -2.040400       3.175500       2.182500    
 C   -1.359200      -2.241200      0.8966000    
 C   -2.829500      -3.395000     -0.8865000    
 C  -0.1211000      -2.027800      3.3500001E-02
 C   -2.568700      -4.774800     -0.2988000    
 C    2.099700      -1.312600      0.4945000    
 C    2.963200     -0.7992000       1.462200    
 C    2.326400      -1.044600     -0.8555000    
 C    4.280300      0.2502000     -0.2701000    
 C    4.053500     -1.7899999E-02   1.079800    
 C    3.416600     -0.2631000      -1.237700    
 C    5.445600       1.085700     -0.6797000    
 C    5.101500       2.571700     -0.7424000    
 H   -4.377200       1.620200     -0.8085000    
 H   -2.064100      0.4246000      0.8110000    
 H   -3.776900      0.2095000       1.076500    
 H  -0.8823000       2.062000      0.7413000    
 H  -0.8595000       3.776600      0.5084000    
 H   -2.261800     -0.7551000      -1.398400    
 H   -3.963500     -0.9848000      -1.089900    
 H   -3.792100       4.618600      0.2319000    
 H   -3.957600       4.067500      -1.435900    
 H   -2.485800       4.904000     -0.9336000    
 H   -3.489900      -2.382100      0.8856000    
 H   -2.718300       2.375200       2.494900    
 H   -1.201900       3.206000       2.885400    
 H   -2.580900       4.123800       2.262500    
 H   -1.378400      -1.477000       1.683700    
 H   -1.246700      -3.179500       1.454200    
 H   -3.845500      -3.386200      -1.301000    
 H   -2.150200      -3.234500      -1.732100    
 H  -0.2115000      -1.051500     -0.4564000    
 H  -3.6499999E-02  -2.812500     -0.7253000    
 H   -3.186500      -4.948100      0.5879000    
 H   -2.812100      -5.546600      -1.036400    
 H   -1.517900      -4.905800     -2.5000000E-02
 H    2.790700      -1.004100       2.515300    
 H    1.695900      -1.448600      -1.642000    
 H    4.717900      0.3779000       1.843500    
 H    3.585300     -6.4900003E-02  -2.292900    
 H    5.817000      0.7567000      -1.658300    
 H    6.278500      0.9344000      1.8500000E-02
 H    4.301500       2.762700      -1.465700    
 H    5.979700       3.150300      -1.045600    
 H    4.769300       2.942700      0.2331000    


%chk=000042272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042272

0 1
O -3.013655 2.175573 -1.425708
O 1.055613 -1.443109 0.961846
C -3.475308 2.977073 -0.207648
C -3.883924 1.534010 -0.356446
C -3.278915 0.356298 0.385391
C -2.347859 3.391349 0.736266
C -3.121355 -0.867377 -0.549270
C -4.494988 4.054612 -0.546382
C -2.622623 -2.164435 0.146126
C -2.826008 3.606298 2.192640
C -1.286254 -1.975696 0.918348
C -2.577562 -3.326983 -0.887771
C -0.105672 -1.518838 0.054769
C -2.212978 -4.706576 -0.297332
C 2.281677 -1.012146 0.425753
C 3.364477 -0.971162 1.339906
C 2.484914 -0.634301 -0.923805
C 4.864952 -0.161995 -0.444434
C 4.634168 -0.550871 0.903914
C 3.770918 -0.215251 -1.340085
C 6.234658 0.332399 -0.889725
C 6.487265 1.815797 -0.506856
H -4.911817 1.360498 -0.717106
H -2.300035 0.640207 0.809869
H -3.941205 0.094213 1.237564
H -1.550651 2.627561 0.710292
H -1.894859 4.325618 0.349943
H -2.441501 -0.587349 -1.378423
H -4.102021 -1.084383 -1.021712
H -5.044878 4.380843 0.356005
H -5.227065 3.681734 -1.282925
H -3.994294 4.939415 -0.980749
H -3.380430 -2.442817 0.912364
H -3.278039 2.684720 2.603622
H -1.978229 3.886055 2.843397
H -3.578877 4.412502 2.261005
H -1.421869 -1.238769 1.732082
H -1.005545 -2.924567 1.411033
H -3.575412 -3.394313 -1.367379
H -1.868744 -3.075620 -1.703571
H -0.288839 -0.521762 -0.395505
H 0.110218 -2.240688 -0.759455
H -2.887811 -4.971994 0.538855
H -2.300374 -5.498134 -1.064113
H -1.176958 -4.732086 0.086870
H 3.186876 -1.275488 2.376251
H 1.666925 -0.661604 -1.649700
H 5.464715 -0.528465 1.620854
H 3.920214 0.074710 -2.387803
H 6.335009 0.221743 -1.986444
H 7.027454 -0.293349 -0.434641
H 5.736146 2.475922 -0.977255
H 7.491290 2.145287 -0.833344
H 6.417966 1.957191 0.587225


