%chk=000112049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112049

0 1
 O  -0.1755000      -1.832700      8.9599997E-02
 O  -0.8072000     -0.9998000       2.140500    
 C    2.548800      -1.077900     -0.7798000    
 C    3.732700     -8.3200000E-02 -0.7560000    
 C    2.131200      -1.498800      0.6416000    
 C    3.528000       1.174200      0.1015000    
 C    2.939300      -2.291900      -1.632200    
 C   0.9536000      -2.467000      0.6780000    
 C    2.393800       2.031900     -0.3864000    
 C    1.324100       2.474600      0.3013000    
 C    1.157400       2.119700       1.755600    
 C   0.2227000       3.333000     -0.2523000    
 C  -0.9750000      -1.129500      0.9378000    
 C   -2.112900     -0.5203000      0.2039000    
 C   -3.307800     -0.3283000      0.8666000    
 C   -1.940000     -0.1655000      -1.118200    
 C   -4.376900      0.2438000      0.1768000    
 C   -3.009000      0.4066000      -1.807900    
 C   -4.227400      0.6112000      -1.160400    
 H    1.700400     -0.5854000      -1.270900    
 H    4.628200     -0.6004000     -0.3863000    
 H    3.962000      0.2219000      -1.786000    
 H    1.853500     -0.6153000       1.220900    
 H    2.984500      -1.962000       1.152100    
 H    3.467700      0.8922000       1.152100    
 H    4.440900       1.779600      2.3499999E-02
 H    3.708100      -2.895200      -1.137800    
 H    2.076600      -2.932600      -1.837300    
 H    3.333900      -1.973100      -2.603300    
 H   0.7469000      -2.781500       1.708200    
 H    1.160200      -3.384000      0.1192000    
 H    2.469900       2.330800      -1.431400    
 H   0.2668000       1.497700       1.884500    
 H    1.993400       1.602400       2.223200    
 H    1.007000       3.036700       2.337500    
 H   0.3762000       3.547200      -1.315000    
 H   0.1779000       4.288700      0.2794000    
 H  -0.7434000       2.828800     -0.1493000    
 H   -3.437200     -0.6131000       1.906500    
 H  -0.9977000     -0.3001000      -1.640600    
 H   -5.325800      0.4027000      0.6808000    
 H   -2.891600      0.6965000      -2.848100    
 H   -5.059400       1.057400      -1.697300    


%chk=000112049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112049

0 1
O -0.155887 -1.970804 -0.057418
O -0.659302 -0.944673 1.977583
C 2.639916 -1.045431 -0.779627
C 3.802559 -0.024859 -0.636212
C 2.245055 -1.646891 0.594199
C 3.506985 1.209034 0.265023
C 3.021768 -2.139986 -1.803863
C 1.045426 -2.606494 0.567736
C 2.296049 1.997173 -0.196981
C 1.238242 2.434360 0.547308
C 1.081131 2.210123 2.042078
C 0.091562 3.194899 -0.101979
C -0.921290 -1.141123 0.762189
C -2.072973 -0.534243 0.030472
C -2.948073 0.317073 0.754279
C -2.305654 -0.781658 -1.347346
C -4.047046 0.916627 0.105434
C -3.406664 -0.179546 -1.992421
C -4.278101 0.669675 -1.269302
H 1.758312 -0.496735 -1.169134
H 4.702932 -0.547159 -0.248451
H 4.066252 0.339012 -1.651290
H 2.019740 -0.838242 1.311392
H 3.107016 -2.214706 1.006880
H 3.393635 0.892520 1.317517
H 4.405332 1.862585 0.237791
H 3.863323 -2.757336 -1.431428
H 2.175889 -2.815322 -2.026638
H 3.339235 -1.685208 -2.760883
H 0.777308 -2.921370 1.592231
H 1.222269 -3.488638 -0.067359
H 2.288645 2.230424 -1.274977
H 0.237217 1.522489 2.250275
H 1.981945 1.783946 2.513339
H 0.853549 3.166486 2.552940
H 0.243378 3.319670 -1.188584
H -0.025602 4.201412 0.347619
H -0.870296 2.665072 0.051309
H -2.750442 0.489771 1.817532
H -1.623716 -1.439374 -1.893151
H -4.721939 1.572210 0.666250
H -3.586557 -0.370255 -3.056036
H -5.132230 1.135491 -1.773697


