%chk=000083299.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083299

0 1
 O    2.733300     -0.8256000      -2.313100    
 O   0.6984000      -3.874600      0.7449000    
 O   0.2158000       2.386700      0.1632000    
 O   -3.773100     -0.7737000       1.623100    
 C    2.839800      -1.713700      -1.287500    
 C    1.829600      -3.246900      0.2510000    
 C    1.714900      0.1109000      -2.250600    
 C    1.700500      -2.347400     -0.7919000    
 C  -0.4060000      -3.108900      0.9620000    
 C   0.4591000       1.721200     -0.9988000    
 C    1.485100      0.7782000      -1.061200    
 C   -2.649700      -1.552800       1.402600    
 C    4.089000      -1.990200     -0.7318000    
 C    3.059500      -3.534100      0.8151000    
 C   -1.659400      -3.559300      0.5475000    
 C  -0.2842000      -1.873800       1.598600    
 C   0.9542000      0.3543000      -3.379700    
 C    4.198900      -2.900500      0.3195000    
 C   -2.791000      -2.774500      0.7696000    
 C   -1.415800      -1.089000       1.820900    
 C  -0.3192000       1.980800      -2.126800    
 C  -7.1800001E-02   1.297400      -3.317300    
 C    1.303400       2.892200      0.8554000    
 C   -4.125100      0.1169000      0.6559000    
 C    2.292500       3.563200      0.1593000    
 C    1.373200       2.712200       2.225000    
 C   -4.993300     -0.2695000     -0.3653000    
 C   -3.617200       1.415600      0.6853000    
 C    3.388600       4.071500      0.8563000    
 C    2.469200       3.220600       2.922200    
 C   -5.353400      0.6429000      -1.357200    
 C   -3.977300       2.328000     -0.3065000    
 C    3.476900       3.900200       2.237800    
 C   -4.845400       1.941600      -1.327700    
 H   0.7330000      -2.170900      -1.254100    
 H    2.092700      0.5732000     -0.1843000    
 H    4.980100      -1.499000      -1.113200    
 H    3.146200      -4.241600       1.634100    
 H   -1.760500      -4.520800      5.1800001E-02
 H   0.6757000      -1.507100       1.952900    
 H    1.145400     -0.1775000      -4.306800    
 H    5.171500      -3.115200      0.7524000    
 H   -3.764700      -3.132900      0.4500000    
 H   -1.315900     -0.1326000       2.325100    
 H   -1.119400       2.714500      -2.084500    
 H  -0.6782000       1.499300      -4.195400    
 H    2.235500       3.730200     -0.9123000    
 H   0.5899000       2.182100       2.758400    
 H   -5.399100      -1.277000     -0.3942000    
 H   -2.943300       1.728100       1.478300    
 H    4.170700       4.605400      0.3244000    
 H    2.538000       3.087000       3.997800    
 H   -6.030000      0.3424000      -2.151700    
 H   -3.581100       3.338900     -0.2839000    
 H    4.329700       4.296900       2.780700    
 H   -5.125400       2.651900      -2.100100    


%chk=000083299-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083299

0 1
O 3.696333 -0.860809 -2.523075
O 0.712282 -3.529443 0.397585
O 0.998790 2.965718 -0.862858
O -3.334500 0.114905 1.854603
C 3.435395 -1.828334 -1.522318
C 1.984342 -3.145698 -0.094377
C 2.903561 0.302262 -2.686849
C 2.140270 -2.090026 -1.022303
C -0.274307 -2.549798 0.687120
C 1.662671 2.217150 -1.863433
C 2.353554 1.012569 -1.595057
C -2.345961 -0.788591 1.386095
C 4.549747 -2.603164 -1.127984
C 3.076852 -3.940131 0.315125
C -1.616910 -2.929010 0.470770
C 0.038613 -1.299759 1.270026
C 2.781675 0.771929 -4.012800
C 4.355796 -3.661710 -0.215509
C -2.660470 -2.049770 0.826824
C -1.003598 -0.415414 1.613479
C 1.515791 2.705556 -3.181073
C 2.082210 1.975530 -4.247363
C 1.442594 2.987748 0.484051
C -4.552089 0.295805 1.149127
C 2.809806 2.977460 0.847457
C 0.429719 3.135705 1.457522
C -5.666287 0.665548 1.934791
C -4.648702 0.209536 -0.259796
C 3.154548 3.097220 2.212662
C 0.790955 3.260886 2.816845
C -6.896293 0.945319 1.300962
C -5.887863 0.488885 -0.878570
C 2.152691 3.235485 3.201603
C -7.015173 0.854372 -0.106302
H 1.274669 -1.515264 -1.362679
H 2.462139 0.641907 -0.572682
H 5.533351 -2.372283 -1.545444
H 2.910142 -4.751309 1.028630
H -1.829108 -3.911592 0.039670
H 1.078747 -1.021771 1.465259
H 3.232639 0.196412 -4.825369
H 5.211916 -4.270703 0.093056
H -3.703390 -2.344408 0.676668
H -0.785200 0.555702 2.066083
H 0.965055 3.635591 -3.344577
H 1.977606 2.347849 -5.271698
H 3.588263 2.894225 0.082886
H -0.615813 3.160873 1.135172
H -5.551442 0.729073 3.021019
H -3.773687 -0.056006 -0.861086
H 4.211987 3.091983 2.499364
H 0.007413 3.378710 3.573373
H -7.762232 1.231371 1.908105
H -5.966455 0.427698 -1.969759
H 2.429581 3.329655 4.256749
H -7.971419 1.069555 -0.594517


