%chk=000158146.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158146

0 1
 O   0.6018000      0.4099000      -2.227100    
 O   -2.559900       2.252600      0.6029000    
 O   0.5075000      4.2700000E-02   1.260300    
 O  -0.4352000      -2.336300      -1.370100    
 O    3.470500     -0.5288000     -0.5040000    
 O   -4.445800       1.423100       1.598900    
 O    1.698200      -1.882100       1.679200    
 O  -0.8606000      -3.623900      0.5002000    
 C   -1.511600      0.2192000     -0.1565000    
 C  -0.3576000     -0.6812000      0.3927000    
 C   -1.344600       1.751400     -6.6000000E-03
 C   0.4631000      -1.473500     -0.6655000    
 C    1.337500     -0.6862000      -1.668600    
 C   -1.189700       2.508800      -1.346500    
 C   0.2659000       2.786300      -1.799500    
 C   -2.809800     -5.9000002E-03  0.5608000    
 C    1.128200       1.564500      -1.651400    
 C    2.493600      1.0600000E-02 -0.9991000    
 C    1.860400      -1.544400      -2.820500    
 C    2.273700       1.448900     -0.9799000    
 C   -3.395900       1.265200       1.002000    
 C   0.8125000       4.027800      -1.080600    
 C   -3.457300      -1.157700      0.7666000    
 C    1.495700     -0.6867000       1.838400    
 C   -1.181500      -3.162100     -0.5864000    
 C    2.313000      0.1994000       2.713400    
 C   -2.491900      -3.435200      -1.260500    
 C    1.979300       1.654400       2.839000    
 C    3.340400     -0.3607000       3.368500    
 H   -1.705200     -4.4900000E-02  -1.203300    
 H  -0.8293000      -1.399600       1.067400    
 H  -0.5434000       2.037200      0.6796000    
 H    1.162500      -2.184600     -0.2332000    
 H   -1.725800       3.466400      -1.290800    
 H   -1.709500       1.954000      -2.139200    
 H   0.2319000       3.036000      -2.868800    
 H    2.533300     -0.9672000      -3.466100    
 H    2.414100      -2.414800      -2.453400    
 H    1.042000      -1.889500      -3.461700    
 H    2.853100       2.179900     -0.4482000    
 H   0.1678000       4.894700      -1.262800    
 H   0.8732000       3.879600      2.9000000E-03
 H    1.812500       4.286400      -1.446400    
 H   -3.046000      -2.118400      0.5658000    
 H   -4.418400      -1.168700       1.273500    
 H   -2.314400      -4.110400      -2.103200    
 H   -2.947100      -2.515200      -1.634300    
 H   -3.177800      -3.936400     -0.5719000    
 H    2.048100       2.158400       1.871800    
 H   0.9639000       1.782700       3.228300    
 H    2.659700       2.170500       3.525000    
 H    3.973700      0.2321000       4.021200    
 H    3.586700      -1.413600       3.280500    


%chk=000158146-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158146

0 1
O 0.258116 0.502772 -2.214926
O -2.137597 2.553151 1.040431
O 0.637122 0.052703 1.298800
O -0.791588 -2.175276 -1.301296
O 3.335067 -0.547040 -0.596527
O -3.947917 1.958362 2.374754
O 0.473290 -1.662233 2.884448
O 0.394175 -4.180454 -1.059677
C -1.533653 0.364117 0.080274
C -0.395947 -0.631979 0.486457
C -1.180108 1.900800 0.082567
C 0.315012 -1.413215 -0.653821
C 1.109143 -0.636766 -1.729695
C -1.327592 2.641056 -1.271645
C 0.034810 2.914127 -2.007219
C -2.729678 0.271499 1.022029
C 0.900221 1.694751 -1.853227
C 2.365349 0.071412 -1.116946
C 1.503661 -1.503298 -2.930319
C 2.138264 1.503553 -1.279187
C -3.053973 1.623459 1.576868
C 0.734346 4.189871 -1.490825
C -3.455854 -0.821885 1.360248
C 1.018792 -0.600922 2.505879
C -0.634158 -3.578262 -1.422993
C 2.106048 0.151162 3.205451
C -1.872501 -4.178050 -2.046719
C 2.767795 1.319150 2.506490
C 2.453237 -0.290471 4.446776
H -1.844614 0.068867 -0.936850
H -0.839940 -1.417598 1.125761
H -0.184121 2.068010 0.524292
H 1.021891 -2.135848 -0.198095
H -1.800679 3.618208 -1.067717
H -2.004873 2.075738 -1.935648
H -0.197090 3.044767 -3.083580
H 2.088911 -0.908043 -3.650888
H 2.124562 -2.347038 -2.584554
H 0.606851 -1.892328 -3.439273
H 2.812913 2.281421 -0.929563
H 0.098373 5.070939 -1.682986
H 0.915789 4.137990 -0.401763
H 1.703437 4.354260 -1.995007
H -3.234987 -1.819462 0.964614
H -4.294537 -0.721039 2.058403
H -2.040063 -3.747286 -3.049254
H -2.761238 -3.940273 -1.437002
H -1.756793 -5.268168 -2.125684
H 3.261620 0.980342 1.577437
H 2.027037 2.089162 2.224724
H 3.526122 1.781994 3.159812
H 3.242139 0.202518 5.024463
H 1.950907 -1.154528 4.894706


