%chk=000086681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086681

0 1
 O   -1.157600       2.851000      0.4300000    
 O    1.190700       2.587300     -0.6012000    
 C   -1.615700      0.5952000     -0.2758000    
 C   -3.010700      0.4397000      0.3370000    
 C  -0.6646000       1.516200      0.4886000    
 C   -3.896700     -0.5549000     -0.4177000    
 C    3.027100      0.4588000     -6.1200000E-02
 C    1.514100      0.2515000     -9.7499996E-02
 C    3.794300     -0.8672000     -3.2699998E-02
 C   -5.260900     -0.7710000      0.2486000    
 C   0.7225000       1.548000     -0.1355000    
 C    5.304900     -0.6346000      3.8500000E-02
 C   -6.158500      -1.823400     -0.4065000    
 C    6.113000      -1.932000      0.1128000    
 C   -7.519900      -1.952800      0.2572000    
 C    7.618100      -1.711700      0.1155000    
 H   -1.730800      0.9629000      -1.304200    
 H   -1.166200     -0.4022000     -0.3556000    
 H   -3.508500       1.416300      0.3659000    
 H   -2.904200      0.1077000       1.377100    
 H  -0.5752000       1.231200       1.541200    
 H   -4.047200     -0.2040000      -1.445700    
 H   -3.379200      -1.519800     -0.4838000    
 H    3.288600       1.058400      0.8197000    
 H    3.339800       1.040000     -0.9376000    
 H    1.232800     -0.3353000     -0.9788000    
 H    1.212900     -0.3091000      0.7949000    
 H    3.553300      -1.452300     -0.9282000    
 H    3.474600      -1.456500      0.8353000    
 H   -5.101000      -1.055600       1.296500    
 H   -5.794300      0.1880000      0.2674000    
 H    5.538600     -1.8800000E-02  0.9159000    
 H    5.622300     -6.3100003E-02 -0.8427000    
 H   -5.653500      -2.796200     -0.3809000    
 H   -6.302500      -1.567500      -1.462800    
 H    5.832300      -2.483100       1.018200    
 H    5.853400      -2.570200     -0.7405000    
 H   -1.301600       3.080500     -0.5041000    
 H   -8.067600      -1.006100      0.2131000    
 H   -7.415900      -2.240800       1.308100    
 H   -8.118500      -2.716900     -0.2483000    
 H    7.939000      -1.199100     -0.7967000    
 H    8.142900      -2.670500      0.1711000    
 H    7.921500      -1.105800      0.9751000    


%chk=000086681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086681

0 1
O -1.352042 2.775520 0.223039
O 1.124280 2.519610 -0.684439
C -1.620700 0.370325 -0.246432
C -3.043581 0.333963 0.350712
C -0.746425 1.466852 0.418495
C -3.962343 -0.689426 -0.352595
C 3.060574 0.472712 -0.003384
C 1.538780 0.213950 0.026903
C 3.882736 -0.834248 0.020324
C -5.381378 -0.745648 0.257358
C 0.694354 1.469747 -0.123420
C 5.407896 -0.585218 0.020633
C -6.309925 -1.762109 -0.445500
C 6.239666 -1.887971 0.033390
C -7.724249 -1.812866 0.172049
C 7.762110 -1.630978 0.038164
H -1.673746 0.577883 -1.333530
H -1.137211 -0.619208 -0.116383
H -3.480176 1.347899 0.280403
H -2.980051 0.090401 1.432424
H -0.692344 1.261197 1.511625
H -4.037926 -0.433943 -1.430299
H -3.503384 -1.699964 -0.303415
H 3.341124 1.105728 0.861815
H 3.306115 1.060987 -0.907059
H 1.264932 -0.465970 -0.810013
H 1.241083 -0.320986 0.950776
H 3.614793 -1.454554 -0.861072
H 3.610975 -1.431972 0.915959
H -5.308491 -1.002103 1.335167
H -5.840606 0.263657 0.209385
H 5.679501 0.030378 0.903550
H 5.681693 0.015060 -0.871905
H -5.848294 -2.769906 -0.399234
H -6.383812 -1.503536 -1.521664
H 5.962714 -2.488804 0.923983
H 5.970217 -2.501091 -0.851001
H -0.670097 3.330311 -0.256325
H -8.219202 -0.825277 0.109296
H -7.679959 -2.097226 1.240491
H -8.367973 -2.546976 -0.346740
H 8.070778 -1.059297 -0.857337
H 8.332436 -2.577989 0.047311
H 8.063059 -1.046714 0.928195


