%chk=000128678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128678

0 1
 O   0.8873000      -1.607400      0.7466000    
 O    4.839800      -3.316900      0.1723000    
 O   0.4971000      0.5726000     -0.8395000    
 O    5.058200       3.298800     -8.4799998E-02
 O   0.4464000       3.173100     -0.8659000    
 O    1.282000      -3.047100      -1.005600    
 O   -3.855900     -0.7704000      0.9850000    
 O   -5.021600      -2.231600      -1.071400    
 O   -3.112900      0.4502000       3.368600    
 O   -3.925400       3.007500      -2.405200    
 N    2.747600      0.5571000     -0.2579000    
 N    2.740400       3.321300     -0.4004000    
 C    3.002100     -0.9077000     -0.1512000    
 C    2.287600      -1.566800       1.041100    
 C    4.506300     -0.9333000      6.6000000E-03
 C    3.923500       1.245200     -0.1302000    
 C    4.971700      0.4319000      1.6400000E-02
 C    1.548400       1.144500     -0.5789000    
 C    3.984600       2.711100     -0.1962000    
 C    2.698900      -2.983000       1.351700    
 C    5.272000      -2.017700      0.1387000    
 C    1.529600       2.649300     -0.6245000    
 C    3.764300      -3.685800      0.9377000    
 C    2.700300       4.778700     -0.3782000    
 C   0.5297000      -2.389000     -0.3040000    
 C  -0.9407000      -2.344100     -0.5051000    
 C   -1.706800      -1.570600      0.3428000    
 C   -1.496000      -3.078700      -1.532900    
 C   -3.088400      -1.529900      0.1547000    
 C   -2.877300      -3.038100      -1.721000    
 C   -3.673700      -2.263600     -0.8774000    
 C   -3.602500      0.5898000       1.029300    
 C   -3.233900       1.180600       2.225100    
 C   -3.726400       1.326800     -0.1357000    
 C   -3.473900       2.698300     -0.1034000    
 C   -2.981500       2.552100       2.257400    
 C   -5.799100      -3.208200     -0.3815000    
 C   -3.101300       3.310800       1.093300    
 C   -3.600500       3.490000      -1.316700    
 H    2.732700      -1.312800      -1.130900    
 H    2.403200     -0.9613000       1.948000    
 H    6.004900      0.7244000      0.1224000    
 H    2.010400      -3.519200       2.006300    
 H    6.351600      -1.984000      0.2089000    
 H    3.884200      -4.727100       1.215300    
 H    1.708000       5.143800     -9.8999999E-02
 H    2.942600       5.138300      -1.383000    
 H    3.440300       5.173100      0.3246000    
 H   -1.277800      -1.001500       1.161700    
 H  -0.8909000      -3.686500      -2.198800    
 H   -3.326600      -3.611500      -2.527400    
 H   -4.028600      0.8447000      -1.061300    
 H   -2.690000       3.042000       3.182600    
 H   -5.677400      -3.103200      0.7012000    
 H   -6.851300      -3.047800     -0.6321000    
 H   -5.514000      -4.217200     -0.6959000    
 H   -2.900700       4.378400       1.134200    
 H   -3.388300       4.569100      -1.228200    
 H   -2.846000       1.040000       4.094400    


%chk=000128678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128678

0 1
O 1.178287 -1.975959 0.641021
O 5.632484 -3.152867 0.004059
O 0.658448 0.175243 -1.139499
O 4.702561 3.545127 0.426436
O 0.179181 2.910546 -0.589731
O 1.352355 -3.095030 -1.409739
O -3.693943 -0.906960 1.246419
O -5.074703 -2.724403 -0.711733
O -4.371514 0.608327 3.350342
O -2.641988 2.591443 -2.592005
N 2.818349 0.449637 -0.268416
N 2.421568 3.235161 -0.072840
C 3.298960 -0.976313 -0.344064
C 2.662469 -1.917417 0.734513
C 4.804359 -0.813524 -0.100251
C 3.914973 1.313196 0.007114
C 5.087972 0.594782 0.084260
C 1.563078 0.905978 -0.663446
C 3.749201 2.762801 0.142592
C 3.221198 -3.323402 0.684392
C 5.777331 -1.777871 -0.001539
C 1.323436 2.416307 -0.440228
C 4.435601 -3.817999 0.337213
C 2.153018 4.685000 0.080102
C 0.629607 -2.587986 -0.516527
C -0.846689 -2.588605 -0.497436
C -1.586208 -1.753509 0.368889
C -1.543112 -3.435392 -1.403429
C -2.990393 -1.739652 0.324555
C -2.942353 -3.447616 -1.422390
C -3.700229 -2.597475 -0.567149
C -3.601992 0.492277 1.068845
C -3.970050 1.287485 2.196228
C -3.214587 1.109193 -0.130138
C -3.160448 2.525657 -0.217558
C -3.907999 2.697558 2.106774
C -6.022448 -1.810022 -0.040608
C -3.493955 3.314847 0.909309
C -2.772595 3.182398 -1.488407
H 3.056777 -1.394389 -1.337908
H 2.805737 -1.455453 1.727582
H 6.063017 1.037396 0.285434
H 2.488902 -4.093850 0.950817
H 6.834534 -1.512113 0.084128
H 4.632246 -4.891621 0.322334
H 1.418342 4.847059 0.885849
H 1.734450 5.086503 -0.856933
H 3.105748 5.177233 0.321339
H -1.069517 -1.088136 1.064833
H -0.968836 -4.068423 -2.086668
H -3.498240 -4.094838 -2.106862
H -2.922071 0.524216 -1.008344
H -4.181063 3.305665 2.979060
H -5.855609 -0.766636 -0.361471
H -7.009642 -2.155145 -0.382841
H -5.938235 -1.882263 1.054938
H -3.437943 4.407761 0.844999
H -2.612951 4.287713 -1.406165
H -4.588575 1.249861 4.072649


