%chk=000162958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162958

0 1
 O    6.882000      -1.562800      -1.206000    
 O    6.590500       3.124800     -0.4148000    
 O    5.232400      -2.862600      0.7747000    
 O    3.326700      -2.381100     -0.3669000    
 C   -3.273300      0.4251000     -0.1768000    
 C   -4.606200      0.2630000      0.5571000    
 C   -2.090500      0.2646000      0.7809000    
 C   -5.824300      0.3431000     -0.3676000    
 C  -0.7564000      0.3886000      4.2900000E-02
 C   -7.153000      0.1077000      0.3542000    
 C   0.4261000      0.2614000       1.005900    
 C   -8.327900      0.1266000     -0.6277000    
 C    1.760900      0.3524000      0.2598000    
 C   -9.652800     -0.1461000      8.8000000E-02
 C    2.975700      0.2557000       1.189600    
 C   -10.86430     -0.1140000     -0.8462000    
 C    4.298500      0.4182000      0.4842000    
 C    4.978600     -0.6817000     -3.8699999E-02
 C   -12.18060     -0.4103000     -0.1445000    
 C    4.840000       1.697500      0.3580000    
 C    6.200100     -0.5023000     -0.6878000    
 C    6.061400       1.876700     -0.2913000    
 C    6.741400      0.7769000     -0.8142000    
 C    4.414900      -2.021400      8.7200001E-02
 H   -3.234800       1.411500     -0.6542000    
 H   -3.202700     -0.3240000     -0.9748000    
 H   -4.616400     -0.7055000       1.072600    
 H   -4.691500       1.034600       1.332200    
 H   -2.145200     -0.7133000       1.274700    
 H   -2.149900       1.027600       1.566600    
 H   -5.843000       1.326300     -0.8538000    
 H   -5.712600     -0.4019000      -1.165300    
 H  -0.7080000       1.356500     -0.4707000    
 H  -0.6903000     -0.3899000     -0.7270000    
 H   -7.295800      0.8787000       1.120800    
 H   -7.121700     -0.8600000      0.8695000    
 H   0.3726000       1.054000       1.761900    
 H   0.3705000     -0.6973000       1.535500    
 H   -8.172600     -0.6297000      -1.406500    
 H   -8.374100       1.101700      -1.127400    
 H    1.799600       1.308400     -0.2791000    
 H    1.801500     -0.4271000     -0.5082000    
 H   -9.795400      0.5967000      0.8827000    
 H   -9.603500      -1.126900      0.5772000    
 H    2.894500       1.032700       1.962300    
 H    2.949800     -0.6868000       1.750100    
 H   -10.92990      0.8720000      -1.321400    
 H   -10.72130     -0.8453000      -1.650700    
 H   -12.16510      -1.406200      0.3095000    
 H   -12.37600      0.3236000      0.6437000    
 H   -13.00920     -0.3734000     -0.8584000    
 H    4.309600       2.556300      0.7626000    
 H    7.693500      0.9175000      -1.319900    
 H    6.392500      -2.388300      -1.061700    
 H    5.989200       3.765100      3.0000000E-03
 H    4.847600      -3.761500      0.8546000    


%chk=000162958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162958

0 1
O 7.059578 -1.442873 -1.220179
O 6.789693 3.208381 -0.357036
O 5.300140 -3.014266 -0.407965
O 3.411814 -2.353507 0.739106
C -3.297800 0.180454 -0.165453
C -4.660982 0.108243 0.558795
C -2.091271 0.199418 0.799819
C -5.868177 0.091119 -0.405744
C -0.728385 0.278852 0.075557
C -7.231334 0.024682 0.319198
C 0.476362 0.298099 1.042818
C -8.438999 0.009683 -0.644947
C 1.835071 0.377916 0.313799
C -9.802434 -0.052780 0.079940
C 3.030995 0.423924 1.307665
C -11.009690 -0.066104 -0.885425
C 4.378078 0.504328 0.603011
C 5.055006 -0.642840 0.040650
C -12.368058 -0.127630 -0.153730
C 4.961524 1.777049 0.472587
C 6.316754 -0.431245 -0.645883
C 6.194061 1.952303 -0.210431
C 6.870908 0.859227 -0.768489
C 4.477072 -1.984651 0.188606
H -3.270340 1.088306 -0.804198
H -3.202585 -0.685461 -0.853839
H -4.688992 -0.799856 1.196985
H -4.755250 0.973907 1.247861
H -2.115419 -0.710760 1.434921
H -2.189330 1.062710 1.491417
H -5.838059 0.997639 -1.046235
H -5.776196 -0.776399 -1.092655
H -0.704501 1.188495 -0.560738
H -0.629313 -0.585307 -0.613961
H -7.322501 0.891834 1.006766
H -7.262134 -0.882164 0.959098
H 0.375839 1.160174 1.736293
H 0.457921 -0.615237 1.672225
H -8.349365 -0.858757 -1.331107
H -8.406738 0.915514 -1.286371
H 1.862498 1.277515 -0.334447
H 1.945819 -0.502474 -0.346653
H -9.893383 0.815226 0.766493
H -9.837050 -0.959032 0.720571
H 2.916988 1.316874 1.952514
H 2.973479 -0.468860 1.952505
H -10.973526 0.839248 -1.525501
H -10.918125 -0.933751 -1.570665
H -12.440827 -1.038534 0.470284
H -12.498844 0.745624 0.513180
H -13.213407 -0.137941 -0.866406
H 4.445447 2.643489 0.905735
H 7.819779 0.990258 -1.291705
H 6.589929 -2.326011 -1.073354
H 6.241064 3.914364 0.067357
H 4.858996 -3.892314 -0.272242


