%chk=000057759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057759

0 1
 O   0.9889000      0.8620000      8.6000003E-03
 O   5.7500001E-02   2.951200      0.2678000    
 N    5.698200     -0.2542000     -0.2656000    
 N   -5.037000     -0.9688000     -5.5399999E-02
 C    6.956700      0.2462000     -0.8360000    
 C    5.929500     -0.9359000       1.015600    
 C    7.950800     -0.8935000      -1.063900    
 C    6.890000      -2.114600      0.8482000    
 C    8.207300      -1.671400      0.2219000    
 C    4.741900      0.8398000     -9.7599998E-02
 C    3.314700      0.3021000     -0.1095000    
 C    2.294200       1.422100      4.1700002E-02
 C   -7.451200      -1.274900     -9.7800002E-02
 C  -4.3499999E-02   1.741700      0.1327000    
 C   -6.292700     -0.2923000      5.1100001E-02
 C   -8.818300     -0.5888000     -3.7300002E-02
 C   -1.347800       1.033800      8.4299996E-02
 C   -3.798200     -0.2963000     -7.7000000E-03
 C   -2.537000       1.754300      0.1955000    
 C   -1.383900     -0.3518000     -7.2999999E-02
 C   -3.762300       1.089300      0.1495000    
 C   -2.609100      -1.016800     -0.1190000    
 C   -9.948600      -1.583100     -0.2541000    
 H    7.406900       1.004500     -0.1817000    
 H    6.765100      0.7228000      -1.805200    
 H    4.993200      -1.332500       1.422400    
 H    6.336700     -0.2397000       1.761000    
 H    7.559900      -1.574100      -1.830900    
 H    8.895200     -0.4901000      -1.446100    
 H    7.082200      -2.577200       1.822800    
 H    6.424200      -2.881400      0.2161000    
 H    8.837900      -2.542900      1.5100000E-02
 H    8.754600      -1.037500      0.9303000    
 H    4.941300       1.420200      0.8125000    
 H    4.825100       1.543000     -0.9372000    
 H    3.118300     -0.2401000      -1.043900    
 H    3.148800     -0.4237000      0.6950000    
 H    2.445000       1.940300      0.9961000    
 H    2.402000       2.141900     -0.7783000    
 H   -7.354000      -1.806900      -1.053200    
 H   -7.389000      -2.037500      0.6892000    
 H   -6.376100      0.2081000       1.023400    
 H   -6.383000      0.4680000     -0.7343000    
 H   -8.945100     -0.1001000      0.9355000    
 H   -8.876500      0.1925000     -0.8040000    
 H   -5.015300      -1.977300     -0.1595000    
 H   -2.529800       2.834000      0.3189000    
 H  -0.4829000     -0.9518000     -0.1636000    
 H   -4.663000       1.688500      0.2419000    
 H   -2.624100      -2.096800     -0.2421000    
 H   -9.936100      -2.364100      0.5128000    
 H   -10.91600      -1.073600     -0.2045000    
 H   -9.867100      -2.062600      -1.234800    


%chk=000057759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057759

0 1
O 1.021105 0.742371 -0.045048
O 0.093635 2.884416 -0.026340
N 5.883232 -0.193611 -0.255828
N -5.174730 -0.954451 -0.035140
C 7.194643 0.438576 -0.561858
C 5.999796 -1.143013 0.882455
C 8.262185 -0.619488 -0.905427
C 7.034268 -2.247962 0.587815
C 8.411859 -1.636480 0.248152
C 4.831233 0.830954 -0.043542
C 3.398328 0.254754 -0.076414
C 2.363414 1.381223 -0.059269
C -7.635965 -1.251642 -0.034146
C -0.068989 1.634178 -0.033259
C -6.463499 -0.252039 -0.030471
C -9.010399 -0.545359 -0.032161
C -1.369214 0.932458 -0.031976
C -3.938322 -0.324503 -0.033577
C -2.559071 1.708204 -0.021133
C -1.480446 -0.487075 -0.043418
C -3.823794 1.101658 -0.021920
C -2.737224 -1.104712 -0.043942
C -10.190656 -1.539716 -0.034262
H 7.558106 1.054873 0.305153
H 7.054367 1.126762 -1.416874
H 5.011907 -1.600546 1.067165
H 6.297546 -0.601673 1.822091
H 7.953603 -1.149167 -1.827498
H 9.225826 -0.115225 -1.112540
H 7.109126 -2.920848 1.463897
H 6.676536 -2.850746 -0.269289
H 9.134579 -2.429506 -0.022273
H 8.816321 -1.119919 1.143667
H 4.986567 1.387749 0.919557
H 4.930180 1.575351 -0.858825
H 3.278676 -0.353738 -0.990976
H 3.214431 -0.406527 0.790237
H 2.459131 2.025653 0.835520
H 2.437425 2.029891 -0.952610
H -7.560906 -1.904488 -0.928361
H -7.561128 -1.910693 0.855448
H -6.538758 0.401335 0.865407
H -6.540665 0.410509 -0.919561
H -9.081432 0.112795 0.857235
H -9.081758 0.116975 -0.918417
H -5.194550 -1.974305 -0.046364
H -2.464914 2.799581 -0.012914
H -0.568225 -1.090391 -0.052846
H -4.721938 1.725883 -0.014025
H -2.808562 -2.199893 -0.053183
H -10.161552 -2.193820 0.857414
H -11.160900 -1.010964 -0.032834
H -10.161934 -2.189649 -0.928996


