%chk=000097332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097332

0 1
 O  -0.4083000      0.9389000      0.1361000    
 O   0.6512000      -2.542900      0.7216000    
 O   -4.489000      -1.672800      0.2588000    
 O   -4.635700       3.023400     -0.4253000    
 O   -2.119200      -2.734400      0.5654000    
 O    4.670000      0.2592000      -1.876900    
 O    5.875700      0.8896000      0.5469000    
 C   -2.416600     -0.4226000      0.2066000    
 C   -1.771000      0.8044000      7.0100002E-02
 C   0.3595000     -0.1976000      0.3356000    
 C  -0.1391000      -1.437500      0.4915000    
 C    1.804600      8.6900003E-02  0.3871000    
 C   -1.608100      -1.630500      0.4322000    
 C   -3.809600     -0.4992000      0.1316000    
 C   -2.515700       1.964900     -0.1422000    
 C   -3.906700       1.892600     -0.2180000    
 C   -4.552100      0.6629000     -8.1400000E-02
 C    2.567700      3.9500002E-02 -0.7799000    
 C    2.410600      0.4029000       1.603500    
 C    3.935700      0.3080000     -0.7305000    
 C    4.540900      0.6240000      0.4859000    
 C    3.778300      0.6713000       1.652900    
 C    1.035900      -3.149100     -0.4975000    
 C   -4.734800      -2.412400     -0.9357000    
 C   -6.053400       2.878500     -0.4924000    
 C    5.254500     -0.9958000      -2.219300    
 C    6.274800       2.247700      0.3731000    
 H   -2.015200       2.924000     -0.2487000    
 H   -5.630300      0.5481000     -0.1300000    
 H    2.102500     -0.1946000      -1.735000    
 H    1.829100      0.4440000       2.521400    
 H    4.243300      0.9163000       2.604000    
 H    1.633000      -4.034600     -0.2588000    
 H   0.1613000      -3.483100      -1.067100    
 H    1.651700      -2.494700      -1.117700    
 H   -5.087200      -3.408800     -0.6557000    
 H   -5.513800      -1.918700      -1.525100    
 H   -3.826500      -2.517400      -1.537800    
 H   -6.466600       2.516200      0.4552000    
 H   -6.472200       3.875900     -0.6621000    
 H   -6.355100       2.257100      -1.342500    
 H    4.477700      -1.752600      -2.368300    
 H    5.951900      -1.321100      -1.440900    
 H    5.807100     -0.8726000      -3.154700    
 H    5.847400       2.876700       1.160400    
 H    5.968400       2.616800     -0.6108000    
 H    7.365100       2.295600      0.4404000    


%chk=000097332-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097332

0 1
O -0.294996 0.583073 -0.138768
O 0.421670 -2.699534 1.349661
O -4.849618 -1.424809 0.132795
O -4.112918 3.131866 -1.253446
O -2.398457 -2.604129 1.452658
O 4.171977 2.134406 -1.369428
O 6.064863 0.414174 0.078171
C -2.469875 -0.561126 0.120319
C -1.691959 0.585242 -0.248680
C 0.411606 -0.540877 0.323539
C -0.302726 -1.643476 0.786739
C 1.867340 -0.321851 0.259425
C -1.785804 -1.671896 0.817270
C -3.892493 -0.434895 -0.082373
C -2.231766 1.794876 -0.704154
C -3.634435 1.897163 -0.813278
C -4.457035 0.783205 -0.521202
C 2.367552 0.775056 -0.501058
C 2.803370 -1.165167 0.928433
C 3.745577 1.028860 -0.591686
C 4.671459 0.208174 0.119551
C 4.182113 -0.893857 0.854606
C 0.035245 -4.084429 0.983739
C -4.617256 -2.816796 -0.304665
C -5.566523 3.303614 -1.364391
C 4.967281 1.763082 -2.563048
C 6.530062 1.736956 0.562949
H -1.585306 2.639032 -0.949936
H -5.541094 0.805689 -0.651980
H 1.684532 1.434826 -1.041014
H 2.436879 -2.006792 1.516520
H 4.906799 -1.519494 1.385088
H 0.803462 -4.716322 1.454939
H -0.966916 -4.312576 1.376302
H 0.063054 -4.211684 -0.115061
H -5.627007 -3.234493 -0.441693
H -4.066432 -2.834301 -1.264462
H -4.053036 -3.359684 0.468391
H -6.063254 3.145270 -0.388552
H -5.704844 4.344545 -1.690029
H -5.994210 2.615370 -2.118189
H 4.350865 1.162442 -3.258480
H 5.870684 1.193180 -2.277829
H 5.246881 2.715911 -3.037646
H 6.319789 1.833128 1.644607
H 6.039898 2.558372 0.011608
H 7.616700 1.743077 0.389739


