%chk=000125613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125613

0 1
 O   8.9900002E-02 -0.5398000       1.195200    
 O   -1.678700       2.311500      7.7200003E-02
 O   -3.216300      5.0500002E-02 -0.2949000    
 O   0.5181000       1.698300       1.839900    
 O   -1.438600      -2.786700      0.6578000    
 O   -1.441500       3.754700      -1.710900    
 O   -3.239900     -0.6379000      -2.500000    
 O    2.010800      0.6969000       3.291100    
 O    2.322300      -1.996000      -1.046400    
 O   -2.560800      -4.434400       1.825200    
 O    6.307100      0.2866000     -0.7653000    
 N    1.002200      0.3413000      -1.543700    
 N    2.378600      0.2892000      -1.335500    
 N    4.362600     -0.9088000     -0.8908000    
 N    5.090600      0.3910000     -0.9557000    
 C   0.3798000       1.195800     -0.5289000    
 C   -1.147000       1.240700     -0.7094000    
 C   -1.798800     -7.1400002E-02 -0.2611000    
 C   -1.337400     -0.4510000       1.149700    
 C   0.7640000      0.6793000      0.8715000    
 C   -1.890200      -1.808000       1.575800    
 C   0.7174000      0.8451000      -2.884400    
 C   -1.768100       3.515500     -0.5564000    
 C   -3.811500     -0.2663000      -1.484000    
 C    1.213200       1.580900       3.009000    
 C    2.972100     -0.9461000      -1.087900    
 C   -2.338700       4.534600      0.3828000    
 C   -5.295900     -9.3000002E-02  -1.371800    
 C   -1.849000      -4.071600      0.8985000    
 C   0.8570000       2.713100       3.924000    
 C   -1.298400      -4.992900     -0.1475000    
 C    5.125300      -2.121200     -0.6230000    
 H   0.7719000       2.220200     -0.6162000    
 H   -1.457100       1.418600      -1.742300    
 H   -1.463500     -0.8613000     -0.9472000    
 H   -1.681700      0.2886000       1.883600    
 H    1.834300      0.4630000      0.9224000    
 H   -1.509500      -2.059500       2.573200    
 H   -2.985700      -1.791800       1.602200    
 H  -0.3033000      0.6150000      -3.202800    
 H   0.8981000       1.922100      -2.981400    
 H    1.357200      0.3415000      -3.620900    
 H    2.895600       1.160600      -1.383600    
 H   -1.688800       4.638500       1.255400    
 H   -2.398300       5.502000     -0.1241000    
 H   -3.345600       4.236500      0.6854000    
 H   -5.529900      0.9482000      -1.136100    
 H   -5.764300     -0.3483000      -2.326700    
 H   -5.689200     -0.7606000     -0.6010000    
 H  -0.2121000       2.684300       4.149200    
 H    1.413400       2.612100       4.860100    
 H    1.127000       3.664300       3.458500    
 H   -1.670000      -4.698100      -1.132100    
 H   -1.628000      -6.015100      5.8899999E-02
 H  -0.2060000      -4.967400     -0.1247000    
 H    5.619200      -2.026100      0.3487000    
 H    4.476600      -3.000700     -0.6012000    
 H    5.871900      -2.255900      -1.411400    


%chk=000125613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125613

0 1
O -0.341596 -0.510542 1.419240
O -1.859791 2.299542 0.239170
O -3.448518 0.028729 -0.590190
O 0.351482 1.730204 1.952458
O -1.889162 -2.778162 0.547513
O -0.990442 3.979427 -1.122856
O -3.034425 -0.133619 -2.879386
O 2.423871 1.202179 2.918531
O 2.104410 -2.357547 -1.007758
O -0.749951 -3.902844 2.255563
O 6.088813 -0.066169 -0.989918
N 0.801635 0.165503 -1.425045
N 2.195823 -0.005309 -1.222724
N 4.181552 -1.252920 -0.938253
N 4.817546 -0.020448 -1.106807
C 0.235451 1.118687 -0.416718
C -1.288776 1.275506 -0.673329
C -1.984908 -0.048104 -0.347073
C -1.797891 -0.406779 1.139049
C 0.498977 0.570752 1.008490
C -2.382269 -1.768301 1.510177
C 0.494807 0.465513 -2.854577
C -1.628382 3.639177 -0.101317
C -3.850069 -0.066781 -1.931873
C 1.379994 1.884769 2.914176
C 2.726326 -1.270607 -1.059224
C -2.242261 4.552070 0.932594
C -5.356418 -0.081393 -2.034800
C -0.978468 -3.745535 1.039238
C 1.014963 2.981758 3.887588
C -0.355866 -4.492111 -0.112944
C 4.934049 -2.486748 -0.655437
H 0.708896 2.123965 -0.495651
H -1.479243 1.602085 -1.706636
H -1.549019 -0.841478 -0.978587
H -2.247113 0.379995 1.775130
H 1.525268 0.186779 1.116325
H -2.076057 -2.055326 2.531593
H -3.479909 -1.746726 1.419770
H -0.572554 0.278100 -3.057161
H 0.750525 1.509382 -3.144967
H 1.076514 -0.234299 -3.474517
H 2.853926 0.786118 -1.310621
H -1.737475 4.397813 1.902944
H -2.132393 5.599733 0.618642
H -3.308718 4.309754 1.076530
H -5.787877 0.764556 -1.473714
H -5.657753 -0.029047 -3.090582
H -5.752972 -1.009656 -1.586569
H 0.142086 2.670352 4.488151
H 1.864628 3.184594 4.554980
H 0.735049 3.900637 3.344558
H -1.094524 -4.669902 -0.911023
H 0.065482 -5.444077 0.242898
H 0.456296 -3.869124 -0.532822
H 5.477610 -2.383326 0.299297
H 4.209703 -3.310890 -0.599840
H 5.671515 -2.669314 -1.455688


