%chk=000111308.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111308

0 1
 O   -3.559200       1.495600     -0.8014000    
 O   0.6296000      0.5583000      0.1374000    
 O    1.038800     -0.3177000       2.258900    
 O   -3.804500       1.258700       1.469900    
 O    6.825200      0.1438000     -0.9887000    
 O    6.729400       2.156000     -0.1163000    
 N   -1.942800      0.4418000      0.3521000    
 N    6.176100       1.091900     -0.4847000    
 C   -4.812500       2.177600     -0.8621000    
 C   -1.245800     -0.1163000       1.487900    
 C   -1.677100      -1.567100       1.749200    
 C   -1.335200      -2.535900      0.6397000    
 C   -4.728100       3.428500      1.1100000E-02
 C   -5.060200       2.556000      -2.320700    
 C   -5.904300       1.234500     -0.3588000    
 C   0.2681000      1.0400000E-02   1.362000    
 C   -3.161600       1.081000      0.4404000    
 C   -2.243300      -2.759700     -0.3952000    
 C  -0.1116000      -3.205600      0.6508000    
 C   -1.928100      -3.653200      -1.418900    
 C   0.2037000      -4.099100     -0.3730000    
 C  -0.7046000      -4.322800      -1.407700    
 C    2.011500      0.6912000     -1.7400000E-02
 C    2.754000     -0.3499000     -0.5745000    
 C    2.648700       1.864900      0.3853000    
 C    4.133800     -0.2171000     -0.7293000    
 C    4.028700       1.997600      0.2307000    
 C    4.771200      0.9565000     -0.3266000    
 H   -1.522700      0.4904000       2.359700    
 H   -2.759800      -1.605100       1.930100    
 H   -1.215400      -1.924900       2.679300    
 H   -1.519700      0.3517000     -0.5669000    
 H   -4.808000       3.240700       1.084800    
 H   -3.784200       3.960700     -0.1550000    
 H   -5.547500       4.117100     -0.2280000    
 H   -5.072300       1.663500      -2.956800    
 H   -4.253300       3.194400      -2.698700    
 H   -6.009700       3.085700      -2.449400    
 H   -5.790800      0.2355000     -0.7958000    
 H   -5.932700       1.108700      0.7264000    
 H   -6.895000       1.612500     -0.6386000    
 H   -3.200700      -2.245600     -0.4155000    
 H   0.6042000      -3.045500       1.452200    
 H   -2.635300      -3.827500      -2.224600    
 H    1.156300      -4.620800     -0.3641000    
 H  -0.4590000      -5.018400      -2.204800    
 H    2.262600      -1.265700     -0.8912000    
 H    2.074800       2.679100      0.8195000    
 H    4.679900      -1.048500      -1.167600    
 H    4.491100       2.926200      0.5555000    


%chk=000111308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111308

0 1
O -3.640605 1.549480 -0.696361
O 0.624102 0.396141 0.410305
O 0.865612 0.077972 2.729669
O -3.983810 1.142820 1.623786
O 6.450367 0.155949 -2.149336
O 6.881988 1.501578 -0.357837
N -1.993797 0.596881 0.526103
N 6.087347 0.785410 -1.081287
C -5.004661 2.194853 -0.924922
C -1.379659 0.031334 1.722474
C -1.726497 -1.494471 1.946404
C -1.200791 -2.402387 0.848718
C -5.116628 3.467019 -0.061460
C -4.945562 2.531531 -2.424511
C -6.113071 1.168943 -0.615494
C 0.136210 0.192283 1.730795
C -3.278303 1.104546 0.576973
C -1.929721 -2.586129 -0.355586
C 0.051331 -3.056766 0.991551
C -1.415729 -3.394458 -1.395072
C 0.567519 -3.866332 -0.045205
C -0.163323 -4.034984 -1.244566
C 2.014895 0.486316 0.125152
C 2.439821 -0.198215 -1.035008
C 2.901803 1.265907 0.902612
C 3.783587 -0.100723 -1.437568
C 4.247760 1.361285 0.501796
C 4.669586 0.679217 -0.660793
H -1.780046 0.572683 2.599557
H -2.828214 -1.539613 2.015890
H -1.312767 -1.783244 2.929522
H -1.490071 0.576926 -0.360798
H -5.130991 3.215521 1.010600
H -4.268044 4.144696 -0.262595
H -6.050771 4.001937 -0.312849
H -4.798755 1.616644 -3.024108
H -4.112523 3.224235 -2.634688
H -5.889892 3.010747 -2.738674
H -5.965447 0.249225 -1.209424
H -6.123154 0.909905 0.454895
H -7.095329 1.597922 -0.885674
H -2.906431 -2.101753 -0.472813
H 0.620246 -2.936379 1.922091
H -1.993867 -3.531802 -2.315910
H 1.532002 -4.369920 0.085171
H 0.231394 -4.669002 -2.046423
H 1.717978 -0.798432 -1.595907
H 2.552269 1.779485 1.800025
H 4.154897 -0.613063 -2.328357
H 4.970444 1.952378 1.069740


