%chk=000173676.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173676

0 1
 O   -4.805600      0.2272000     -0.5577000    
 O   -2.388100       2.023200       2.022700    
 O   -4.712000      0.2705000       1.731500    
 O    1.376800      -3.299200       1.558100    
 O    2.816000      -3.487500     -0.3657000    
 O    2.425500      0.1093000       1.674600    
 O    1.764200       3.538000      -1.603300    
 O    3.469100       1.885800     -0.1756000    
 C   -2.548800     -0.1958000      -1.032300    
 C   -2.663000      0.2357000      0.4259000    
 C   -3.853500      0.2988000      -1.624600    
 C   -2.435000      -1.718200      -1.152600    
 C   -2.104300       1.628800      0.6798000    
 C   -4.154700      0.2372000      0.6447000    
 C   -1.015100      -2.191800     -0.9775000    
 C  -0.6110000       1.698200      0.4505000    
 C  -0.5588000      -2.513100      0.2952000    
 C  -0.1892000      -2.296900      -2.101500    
 C  -0.1100000       2.593700     -0.4789000    
 C   0.2234000      0.8647000       1.175200    
 C   0.7481000      -2.941800      0.4053000    
 C    1.600800      0.9285000      0.9642000    
 C    1.267300       2.657600     -0.6900000    
 C    1.130300      -2.733700      -1.962400    
 C    1.570000      -3.049200     -0.6932000    
 C    2.122800       1.824800      3.1599998E-02
 C    2.686300      -3.644300       1.062000    
 C    2.916800      0.6047000       2.918500    
 C    2.097600       4.841900      -1.131400    
 C    3.934300       1.603200      -1.493300    
 H   -1.711000      0.2634000      -1.568200    
 H   -2.249100     -0.4943000       1.125200    
 H   -3.786300       1.343400      -1.948000    
 H   -4.207200     -0.3002000      -2.468900    
 H   -2.617500       2.359400      4.1999999E-02
 H   -2.779000      -2.044700      -2.143400    
 H   -3.092600      -2.233100     -0.4397000    
 H   -1.871500       2.823100       2.220400    
 H   -1.193800      -2.454800       1.171200    
 H  -0.5605000      -2.038500      -3.089700    
 H  -0.7725000       3.243100      -1.044500    
 H  -0.1710000      0.1749000       1.915800    
 H    1.781500      -2.818200      -2.825000    
 H    3.427300      -3.003600       1.553900    
 H    2.896000      -4.688400       1.321200    
 H    2.088400      0.8025000       3.606100    
 H    3.504900       1.515100       2.765800    
 H    3.562600     -0.1594000       3.359800    
 H    2.493700       5.419100      -1.971300    
 H    2.864700       4.786200     -0.3525000    
 H    1.207200       5.349100     -0.7465000    
 H    4.903200       1.102500      -1.407600    
 H    3.254900      0.9388000      -2.039000    
 H    4.083500       2.534300      -2.046800    


%chk=000173676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173676

0 1
O -5.124509 0.039874 -0.288993
O -2.626789 1.712277 2.172180
O -4.737947 -0.436894 1.948511
O 1.326799 -3.389789 1.228624
O 2.952528 -2.600337 -0.341213
O 2.320950 0.182645 2.158199
O 1.687666 3.151001 -1.753870
O 3.478518 1.739018 0.046664
C -2.852207 -0.162233 -1.130986
C -2.809630 0.069425 0.404212
C -4.292000 0.288388 -1.497317
C -2.564228 -1.644279 -1.528998
C -2.258886 1.481728 0.767478
C -4.276927 -0.127367 0.844546
C -1.101847 -1.996528 -1.299412
C -0.746469 1.568279 0.570026
C -0.689568 -2.644884 -0.096747
C -0.129715 -1.576935 -2.243607
C -0.195633 2.345246 -0.473254
C 0.116564 0.889277 1.465832
C 0.681940 -2.783804 0.121490
C 1.514207 0.958087 1.296596
C 1.204339 2.421519 -0.646911
C 1.263522 -1.744278 -2.021173
C 1.639409 -2.330485 -0.811491
C 2.075113 1.707974 0.223294
C 2.750287 -2.982258 1.089657
C 3.340412 0.927538 2.935863
C 2.632001 4.251673 -1.444494
C 3.953633 0.887445 -1.077738
H -2.110555 0.472674 -1.649161
H -2.190726 -0.673289 0.933251
H -4.351529 1.365528 -1.738656
H -4.738144 -0.297839 -2.317424
H -2.750814 2.240723 0.118205
H -2.818219 -1.766131 -2.599936
H -3.233622 -2.316638 -0.958598
H -2.166487 2.530941 2.488699
H -1.417385 -3.010025 0.634305
H -0.461188 -1.092319 -3.169559
H -0.831067 2.912862 -1.162348
H -0.287103 0.301072 2.295890
H 2.004563 -1.422809 -2.757569
H 2.923575 -2.088931 1.718205
H 3.392363 -3.843555 1.320975
H 2.843880 1.645446 3.615813
H 4.036822 1.452097 2.260697
H 3.870490 0.163786 3.525518
H 2.939164 4.651440 -2.422690
H 3.504947 3.876541 -0.883495
H 2.115507 5.038297 -0.862241
H 5.040375 1.053934 -1.132186
H 3.739967 -0.174740 -0.863265
H 3.469753 1.199614 -2.021296


