%chk=000100713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100713

0 1
 O    1.104200      -2.654000     -0.3384000    
 O    2.917400      -1.070600     -0.4513000    
 O  -2.8600000E-02   2.639500      0.4415000    
 O    2.551700       1.758100     -7.2800003E-02
 O   -2.331100      -2.276100     -0.8283000    
 C  -0.8428000      0.3858000      0.3182000    
 C   -2.229900      0.8766000      0.5945000    
 C  -0.6088000     -0.9781000      0.1270000    
 C   0.6879000      -1.376000     -0.1264000    
 C   0.2151000       1.309500      0.2523000    
 C    1.723400     -0.4718000     -0.1907000    
 C    1.519200      0.8801000     -5.5000000E-03
 C   -2.985400       1.222800     -0.6937000    
 C   -1.684200      -1.957400      0.1884000    
 C    2.517700      -2.453400     -0.5426000    
 C   -4.403800       1.689100     -0.4074000    
 C   -2.044400      -2.619300       1.513200    
 C   0.2997000       3.514900     -0.6338000    
 C    3.622600       1.580100      0.8560000    
 H   -2.797500      0.1396000       1.174300    
 H   -2.195700       1.758100       1.248000    
 H   -2.454400       2.011100      -1.240900    
 H   -3.025800      0.3528000      -1.359200    
 H    3.066400      -3.027700      0.2126000    
 H    2.785900      -2.831300      -1.535900    
 H   -4.977200      0.9086000      0.1028000    
 H   -4.402200       2.583500      0.2236000    
 H   -4.918800       1.933300      -1.341800    
 H   -1.431400      -2.213000       2.322600    
 H   -1.862300      -3.694200       1.438100    
 H   -3.096200      -2.425300       1.738600    
 H    1.290800       3.949000     -0.4750000    
 H  -0.4297000       4.330400     -0.6384000    
 H   0.2544000       3.012300      -1.606400    
 H    3.261700       1.215100       1.823700    
 H    4.099300       2.552200       1.010700    
 H    4.368900      0.8953000      0.4438000    


%chk=000100713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100713

0 1
O 1.077946 -2.672316 0.352598
O 2.899601 -1.154568 0.167145
O -0.155949 2.780416 0.444077
O 2.454947 1.926993 0.198241
O -3.076557 -1.633801 0.263833
C -0.999448 0.506196 0.437919
C -2.385863 1.121133 0.559165
C -0.768790 -0.924388 0.456321
C 0.578178 -1.333001 0.352811
C 0.103139 1.398345 0.343198
C 1.659043 -0.441438 0.237717
C 1.466489 0.948552 0.261514
C -3.065568 1.361211 -0.819413
C -1.881130 -1.926267 0.573071
C 2.485379 -2.552396 -0.089445
C -4.480331 1.954464 -0.658881
C -1.565100 -3.327751 1.086623
C 0.210973 3.613962 -0.720382
C 3.839451 1.558583 0.565222
H -3.046146 0.463018 1.146920
H -2.293620 2.091093 1.078185
H -2.437011 2.043939 -1.425809
H -3.125823 0.397372 -1.356247
H 3.109607 -3.229727 0.510652
H 2.540200 -2.754544 -1.177877
H -5.130397 1.259310 -0.096015
H -4.452994 2.915016 -0.109693
H -4.952619 2.137981 -1.641760
H -0.884683 -3.308616 1.955274
H -1.055266 -3.917350 0.303093
H -2.513572 -3.821215 1.350490
H 1.303373 3.615629 -0.872591
H -0.142458 4.625614 -0.468907
H -0.302627 3.252374 -1.632414
H 3.865173 1.116157 1.576598
H 4.390580 2.510276 0.551313
H 4.267972 0.849344 -0.161144


