%chk=000102779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102779

0 1
 O   -1.756900     -0.5294000     -0.3832000    
 C    1.563800      -1.485800     -0.2704000    
 C   0.2514000     -0.2241000       1.016500    
 C    1.688100     -8.6400002E-02 -0.9256000    
 C   0.7877000      0.7923000     -1.8600000E-02
 C    1.444800      -1.164600       1.223100    
 C  -0.7466000      -1.195700      0.3479000    
 C   0.1534000      -2.035900     -0.5776000    
 C    3.097200      0.5230000     -0.8739000    
 C    1.726500       1.816800      0.5337000    
 C    2.967400       1.677600      6.1299998E-02
 C   -2.595300      0.2506000      0.4631000    
 C   -3.632500      0.9211000     -0.3752000    
 C   -4.948900      0.7405000     -0.2212000    
 H    2.365000      -2.177100     -0.5402000    
 H  -0.1212000      0.2344000       1.935800    
 H    1.327600     -0.1087000      -1.961200    
 H  -4.8000002E-03   1.288100     -0.5877000    
 H    1.201500      -2.042100       1.832500    
 H    2.330400     -0.6795000       1.642700    
 H   -1.208900      -1.857400       1.092600    
 H  -0.1137000      -1.952800      -1.635900    
 H   9.7000003E-02  -3.092400     -0.2904000    
 H    3.398500      0.8801000      -1.864400    
 H    3.849200     -0.1903000     -0.5227000    
 H    1.426000       2.589100       1.227400    
 H    3.792200       2.321800      0.3302000    
 H   -3.053400     -0.3943000       1.222400    
 H   -2.021200       1.032900      0.9696000    
 H   -3.286400       1.598400      -1.151500    
 H   -5.653000       1.259600     -0.8621000    
 H   -5.346000      7.7600002E-02  0.5395000    


%chk=000102779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102779

0 1
O -1.770477 -0.519932 -0.381612
C 1.604057 -1.516112 -0.314312
C 0.320824 -0.238314 1.083754
C 1.737448 -0.093948 -0.937388
C 0.820070 0.789975 0.013062
C 1.537201 -1.200327 1.210765
C -0.718279 -1.188050 0.398322
C 0.159008 -2.035294 -0.580232
C 3.171972 0.529114 -0.864381
C 1.757901 1.858414 0.540805
C 3.024816 1.723779 0.067740
C -2.717597 0.230885 0.462271
C -3.747215 0.857035 -0.442426
C -5.085337 0.814447 -0.231661
H 2.396716 -2.214007 -0.632510
H -0.029196 0.222154 2.023110
H 1.364652 -0.090667 -1.976865
H -0.046839 1.222997 -0.520801
H 1.326206 -2.093032 1.828494
H 2.437231 -0.697429 1.603793
H -1.201633 -1.824908 1.172769
H -0.172236 -1.865262 -1.619766
H 0.072394 -3.114692 -0.364086
H 3.540680 0.836976 -1.862764
H 3.913163 -0.198743 -0.472207
H 1.427292 2.645203 1.228915
H 3.862078 2.387013 0.314031
H -3.194293 -0.445266 1.205211
H -2.167404 1.021637 1.021560
H -3.337919 1.391259 -1.311276
H -5.787313 1.317518 -0.905573
H -5.519071 0.274973 0.619761


