%chk=000124174.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124174

0 1
 O    5.320700     -0.3359000       1.274700    
 O    4.340700     -0.4762000      -1.283800    
 O   -6.557000     -0.3907000     -8.6499996E-02
 C    1.975800     -0.2321000     -0.6388000    
 C    1.269500      0.8847000      0.1619000    
 C    3.470400      5.5100001E-02 -0.2871000    
 C  -0.2401000      0.9260000     -9.0999998E-02
 C    2.096900       2.126200     -0.1526000    
 C    3.540200       1.607800     -0.3018000    
 C    1.389300      -1.580000     -0.1857000    
 C  -0.8641000     -0.4328000      0.3478000    
 C    3.927600     -0.4914000       1.048000    
 C  -0.1443000      -1.626900     -0.3330000    
 C    1.780300     -0.1100000      -2.180200    
 C  -0.9311000       2.058300      0.6731000    
 C    4.827300      -1.670600       1.101800    
 C   -2.382800     -0.4200000      0.1940000    
 C   -2.399000       2.138700      0.2651000    
 C   -3.093500      0.8004000      0.2009000    
 C   -3.118700      -1.616700      0.1322000    
 C   -4.495500      0.7954000      9.4400004E-02
 C   -4.512000      -1.607500      3.4899998E-02
 C   -5.200400     -0.4017000      1.1600000E-02
 H    1.397900      0.6925000       1.237900    
 H  -0.4300000       1.091500      -1.159000    
 H    2.027000       2.875100      0.6430000    
 H    1.767000       2.602600      -1.082800    
 H    3.975600       1.982900      -1.235500    
 H    4.162000       1.994800      0.5137000    
 H    1.625300      -1.767200      0.8686000    
 H    1.837900      -2.404900     -0.7523000    
 H  -0.6895000     -0.5441000       1.429300    
 H    3.273000     -0.2850000       1.881700    
 H  -0.4216000      -1.676000      -1.392600    
 H  -0.4776000      -2.572200      0.1110000    
 H    2.254600     -0.9497000      -2.701300    
 H   0.7297000     -0.1179000      -2.480300    
 H    2.215700      0.8092000      -2.585000    
 H  -0.4553000       3.024000      0.4699000    
 H  -0.8527000       1.885100       1.754200    
 H    4.781800      -2.299800       1.983400    
 H    5.128500      -2.206400      0.2133000    
 H    4.074600      -1.394100      -1.462400    
 H   -2.468500       2.600900     -0.7281000    
 H   -2.922700       2.795500      0.9704000    
 H   -2.624700      -2.583000      0.1658000    
 H   -5.039800       1.737600      7.7699997E-02
 H   -5.045400      -2.552900     -1.7300000E-02
 H   -6.877300      -1.308000     -0.1331000    


%chk=000124174-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124174

0 1
O 5.198686 -0.125433 1.606651
O 4.416795 -0.494203 -1.367136
O -6.655032 -0.333380 -0.005891
C 1.963890 -0.267438 -0.684157
C 1.274891 0.881469 0.122537
C 3.485064 0.006187 -0.338099
C -0.248798 0.934229 -0.093999
C 2.139174 2.128803 -0.199090
C 3.592346 1.567968 -0.347637
C 1.362085 -1.623181 -0.234039
C -0.867303 -0.435719 0.328720
C 3.867026 -0.554740 1.042409
C -0.183852 -1.633653 -0.393173
C 1.780954 -0.102059 -2.219651
C -0.939013 2.062879 0.701535
C 4.949672 -1.569344 1.256017
C -2.400218 -0.420396 0.198697
C -2.425627 2.164164 0.305633
C -3.128328 0.809471 0.227699
C -3.139560 -1.626291 0.098336
C -4.540163 0.795877 0.157370
C -4.548009 -1.643436 0.026758
C -5.250001 -0.416703 0.057114
H 1.419167 0.654127 1.204189
H -0.460370 1.107633 -1.170705
H 2.074693 2.895819 0.592227
H 1.797733 2.602002 -1.139347
H 4.059371 1.868984 -1.300521
H 4.259437 1.907477 0.461579
H 1.602968 -1.815310 0.831138
H 1.793342 -2.464168 -0.816266
H -0.629620 -0.546816 1.414024
H 3.074539 -0.504329 1.802370
H -0.465446 -1.626122 -1.463823
H -0.562268 -2.587278 0.021383
H 2.218315 -0.962745 -2.757595
H 0.716262 -0.046981 -2.499536
H 2.284301 0.801404 -2.600915
H -0.439797 3.032314 0.514192
H -0.843847 1.852717 1.787088
H 4.890266 -2.253143 2.112940
H 5.533846 -1.919106 0.396714
H 4.248376 -1.462494 -1.501987
H -2.498632 2.653425 -0.688310
H -2.970301 2.822398 1.009574
H -2.612367 -2.585203 0.076484
H -5.106689 1.733419 0.180981
H -5.086872 -2.596969 -0.050213
H -7.055387 -1.235524 -0.072168


