%chk=000014950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014950

0 1
 O    3.683700     -0.8340000     -0.7111000    
 O    3.383500     -0.4372000       2.162400    
 O    6.427100      0.9998000      0.8123000    
 O    5.249400      -2.407400       1.218300    
 O    4.390000      -2.310500      -2.897700    
 O    1.433200      -1.379700      0.1165000    
 O    2.744000       3.160100     -0.3818000    
 O   0.1543000       3.962200     -0.4366000    
 O   -1.051400      -1.872700      0.2000000    
 O   -2.325000       3.288700     -0.3364000    
 O   -6.733200      0.9501000     -4.3699998E-02
 O   -6.571900      -2.261100     -0.9767000    
 O   -6.710500      -2.171700       1.281000    
 C    4.123200      0.4475000       1.319500    
 C    3.530300      0.4541000     -0.1026000    
 C    5.581000     -3.4699999E-02   1.309000    
 C    5.767600      -1.307600      0.4709000    
 C    5.056800      -1.201900     -0.8890000    
 C    2.075000      0.8807000     -0.1305000    
 C    5.074700      -2.508900      -1.673900    
 C    1.062500     -7.2600000E-02 -1.7500000E-02
 C    1.752600       2.229200     -0.2700000    
 C  -0.2794000      0.3254000     -4.4199999E-02
 C  -0.6024000       1.676800     -0.1839000    
 C   0.4166000       2.630200     -0.2971000    
 C   -1.344600     -0.6911000      7.5499997E-02
 C   -2.756400     -0.2575000      4.4199999E-02
 C   -2.014200       2.110400     -0.2145000    
 C   -3.079400       1.094000     -9.5700003E-02
 C   -3.775400      -1.211100      0.1553000    
 C   -4.421400       1.491700     -0.1242000    
 C   -5.111500     -0.8103000      0.1264000    
 C   -5.433700      0.5381000     -1.3000000E-02
 C   -3.507300      -2.678400      0.3080000    
 C   -6.187900      -1.790600      0.2407000    
 H    4.098300       1.156400     -0.7270000    
 H    4.056000       1.453800       1.750200    
 H    5.894300     -0.2325000       2.341800    
 H    6.832600      -1.501400      0.2968000    
 H    5.531800     -0.4249000      -1.502500    
 H    4.560000      -3.313100      -1.138400    
 H    6.098200      -2.827800      -1.891300    
 H    3.749800     -0.3634000       3.060000    
 H    7.342900      0.6752000      0.8525000    
 H    5.768300      -2.477100       2.037700    
 H    3.486000      -2.021300      -2.685300    
 H    2.342200      -1.453200      0.4459000    
 H    2.333400       4.037700     -0.4698000    
 H   -4.685500       2.540800     -0.2328000    
 H  -0.7996000       4.130100     -0.4413000    
 H   -2.945000      -2.870500       1.228400    
 H   -4.397300      -3.307600      0.3856000    
 H   -2.965300      -3.060800     -0.5638000    
 H   -6.759700       1.916900     -0.1458000    
 H   -7.294200      -2.920700     -0.9018000    


%chk=000014950-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014950

0 1
O 3.832595 -0.846377 -0.755876
O 3.609721 -0.508548 2.175324
O 6.416137 1.165712 0.546886
O 5.415441 -2.381959 1.363622
O 4.790298 -2.425088 -2.976065
O 1.510860 -1.508756 0.089396
O 2.762418 3.161035 -0.371479
O 0.164667 3.903205 -0.339423
O -1.065128 -2.025336 0.616209
O -2.236094 3.298469 -0.173899
O -6.781960 0.978220 -0.010357
O -6.889920 -1.990509 -1.045871
O -6.846225 -2.189170 1.267513
C 4.246095 0.490636 1.297440
C 3.644726 0.489614 -0.138166
C 5.735306 0.079952 1.265315
C 5.922576 -1.285418 0.541640
C 5.274602 -1.238151 -0.859468
C 2.162187 0.824344 -0.145769
C 5.285750 -2.572890 -1.605329
C 1.135293 -0.183501 0.000738
C 1.793592 2.172488 -0.248570
C -0.245250 0.177212 0.062054
C -0.583285 1.568276 -0.067217
C 0.423122 2.554689 -0.220787
C -1.328036 -0.823308 0.286172
C -2.758657 -0.360630 0.158061
C -1.968316 2.024771 -0.064907
C -3.053117 1.033432 0.025892
C -3.852352 -1.295630 0.198017
C -4.378248 1.515294 -0.033674
C -5.178248 -0.791032 0.128674
C -5.439192 0.600701 0.023799
C -3.656366 -2.796253 0.292386
C -6.366193 -1.712920 0.218032
H 4.203561 1.243917 -0.723454
H 4.154964 1.509929 1.717856
H 6.094091 -0.018165 2.308839
H 7.003816 -1.486537 0.411356
H 5.771501 -0.457535 -1.470737
H 4.711394 -3.326148 -1.030763
H 6.324546 -2.929212 -1.705406
H 2.626976 -0.390501 2.206798
H 7.387925 1.122913 0.724254
H 4.579081 -2.054972 1.809427
H 3.872123 -2.054047 -2.931492
H 2.492131 -1.582916 -0.184514
H 2.301621 4.041707 -0.454703
H -4.535259 2.595670 -0.127357
H -0.889358 3.986585 -0.297312
H -3.260244 -3.078945 1.282475
H -4.601923 -3.336076 0.123073
H -2.904924 -3.147961 -0.432654
H -6.883502 1.959952 -0.077525
H -7.700218 -2.563633 -0.949472


