%chk=000092766.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092766

0 1
 O    4.837700      0.2540000      -2.102300    
 O    4.074000      -2.585300      0.5076000    
 O    2.276900      -1.487100       1.457200    
 N  -0.1357000       1.828900      0.4773000    
 N   -2.324500     -0.8333000     -0.9875000    
 C    2.062100      0.3018000     -0.6890000    
 C    2.296100       1.427300      0.3357000    
 C   0.6521000     -0.2900000     -0.5180000    
 C  -0.4104000      0.8187000     -0.5835000    
 C    3.179100     -0.7609000     -0.6580000    
 C    1.167800       2.471300      0.2670000    
 C    3.663400       2.082000      0.1083000    
 C    4.582600     -0.1412000     -0.7535000    
 C    4.793900       1.056000      0.1791000    
 C   -1.801900      0.2901000     -0.4123000    
 C   -1.220000       2.829400      0.5777000    
 C   -2.799900      0.9103000      0.3097000    
 C   -2.543700       2.179100       1.045200    
 C    3.100000      -1.632700      0.5635000    
 C   -3.973000      0.1166000      0.1959000    
 C   -3.647600     -0.9705000     -0.6228000    
 C   -5.283600      0.2132000      0.7047000    
 C   -4.573900      -1.965000     -0.9572000    
 C   -6.218300     -0.7759000      0.3787000    
 C   -5.866900      -1.847200     -0.4396000    
 C    4.113800      -3.489600       1.616000    
 H    2.093900      0.7586000      -1.690200    
 H    2.291700       1.008500       1.351000    
 H   0.5045000     -0.8272000      0.4204000    
 H   0.4805000      -1.020800      -1.318900    
 H  -0.3640000       1.303100      -1.569700    
 H    3.015300      -1.421900      -1.520700    
 H    1.341700       3.216900       1.053100    
 H    1.190400       3.002200     -0.6939000    
 H    3.836400       2.860200      0.8613000    
 H    3.683500       2.578500     -0.8701000    
 H    5.356000     -0.8831000     -0.5258000    
 H    5.738600       1.558900     -5.9000000E-02
 H    4.872300      0.6937000       1.211800    
 H   -1.367800       3.325900     -0.3908000    
 H  -0.9564000       3.608000       1.303800    
 H   -3.369600       2.883400      0.8962000    
 H   -2.483200       1.957900       2.118000    
 H   -1.823900      -1.472200      -1.589700    
 H    5.740800      0.6127000      -2.139600    
 H   -5.572700       1.043200       1.343100    
 H   -4.302200      -2.799700      -1.594900    
 H   -7.230200     -0.7057000      0.7688000    
 H   -6.609100      -2.603800     -0.6807000    
 H    4.307200      -2.942600       2.543600    
 H    4.930600      -4.196700       1.448600    
 H    3.174700      -4.046900       1.684000    


%chk=000092766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092766

0 1
O 4.758529 0.476124 -2.226581
O 2.765403 -2.708694 0.432734
O 3.823102 -1.142230 1.784261
N -0.066970 1.856746 0.440057
N -2.148412 -0.924459 -1.039544
C 2.214226 0.391160 -0.667972
C 2.414057 1.564276 0.326368
C 0.829105 -0.262579 -0.475843
C -0.287962 0.805474 -0.594503
C 3.391736 -0.640286 -0.618097
C 1.225238 2.544212 0.219920
C 3.757400 2.276954 0.049139
C 4.756920 0.074092 -0.799758
C 4.942230 1.289812 0.132542
C -1.674196 0.243365 -0.416877
C -1.215529 2.791463 0.579674
C -2.682593 0.793834 0.367480
C -2.459177 2.064764 1.146271
C 3.375611 -1.469172 0.658364
C -3.841828 -0.068168 0.244559
C -3.477556 -1.141961 -0.649446
C -5.152364 -0.047128 0.790316
C -4.376576 -2.171450 -0.999308
C -6.054537 -1.073399 0.444480
C -5.671491 -2.124581 -0.439979
C 2.645310 -3.590506 1.620988
H 2.257434 0.818727 -1.692969
H 2.423284 1.158966 1.358299
H 0.745543 -0.734064 0.520778
H 0.686725 -1.057461 -1.236070
H -0.207259 1.261270 -1.623429
H 3.268534 -1.341571 -1.463069
H 1.331965 3.334666 0.986915
H 1.259660 3.048682 -0.784568
H 3.908197 3.097702 0.777546
H 3.723509 2.737768 -0.959322
H 5.579747 -0.652680 -0.627240
H 5.893282 1.801835 -0.122492
H 5.041310 0.912459 1.166997
H -1.481064 3.262855 -0.401729
H -0.907139 3.602952 1.264294
H -3.337713 2.736900 1.079630
H -2.297661 1.844814 2.220272
H -1.604220 -1.529409 -1.650171
H 5.581186 0.998341 -2.403839
H -5.458945 0.753983 1.472654
H -4.087797 -2.980910 -1.679612
H -7.068789 -1.068430 0.859593
H -6.395636 -2.908249 -0.689871
H 3.642453 -3.799393 2.043214
H 2.172432 -4.507372 1.242774
H 2.020385 -3.108948 2.391771


