%chk=000050787.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050787

0 1
 O   0.3039000     -0.8787000      0.1749000    
 O    1.754500      -2.497200     -0.5838000    
 N   -2.371700      0.1045000     -0.2521000    
 N    5.459100       2.666500      0.2216000    
 C   -3.530300      0.8054000      0.2715000    
 C   -3.919600       2.013300     -0.5723000    
 C   -4.797500     -4.0199999E-02  0.2341000    
 C   -5.352700       2.309100     -0.1381000    
 C   -5.919200      0.9846000      0.3811000    
 C   -2.038100      -1.048800      0.5751000    
 C  -0.7831000      -1.811000      0.1108000    
 C  -0.4507000      -2.981900       1.040100    
 C  -0.9001000      -2.291700      -1.338500    
 C    1.514000      -1.362200     -0.2024000    
 C    2.549700     -0.3043000     -8.9699998E-02
 C    3.849800     -0.6710000      0.1918000    
 C    2.180400       1.012800     -0.2713000    
 C    4.823000      0.3227000      0.2966000    
 C    3.153700       2.006600     -0.1667000    
 C    4.475000       1.661600      0.1173000    
 H   -3.337500       1.144300       1.299000    
 H   -3.904600       1.767900      -1.642100    
 H   -3.255700       2.869400     -0.4160000    
 H   -4.845500     -0.7881000       1.031600    
 H   -4.900500     -0.5602000     -0.7270000    
 H   -5.945700       2.709100     -0.9667000    
 H   -5.362100       3.056000      0.6641000    
 H   -6.204600       1.091400       1.434100    
 H   -6.812900      0.6790000     -0.1723000    
 H   -1.573800      0.7376000     -0.2950000    
 H   -2.869900      -1.762100      0.5913000    
 H   -1.871300     -0.7081000       1.605800    
 H   0.2823000      -3.688800      0.6438000    
 H   -1.352300      -3.573100       1.239500    
 H  -6.6900000E-02  -2.622300       2.001900    
 H  -0.7645000      -1.468300      -2.049400    
 H  -0.1870000      -3.074200      -1.612200    
 H   -1.890800      -2.728300      -1.513200    
 H    4.132200      -1.709600      0.3365000    
 H    1.162000       1.307000     -0.5071000    
 H    5.849200      4.1200001E-02  0.5187000    
 H    2.870600       3.046100     -0.3118000    
 H    5.206700       3.637400      9.3999997E-02
 H    6.416900       2.417300      0.4296000    


%chk=000050787-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050787

0 1
O 0.266735 -1.076117 0.206654
O 1.921179 -2.581444 -0.516333
N -2.342276 -0.117389 -0.190849
N 5.277165 2.934053 0.212916
C -3.447420 0.754940 0.255191
C -3.607556 1.995255 -0.656080
C -4.844555 0.087440 0.156254
C -5.040258 2.520866 -0.358261
C -5.847930 1.277626 0.159745
C -2.058051 -1.266067 0.690683
C -0.859886 -2.105367 0.186941
C -0.541352 -3.233554 1.186071
C -1.072929 -2.617403 -1.249175
C 1.575634 -1.425849 -0.149989
C 2.499564 -0.268930 -0.040825
C 3.858389 -0.453551 -0.416459
C 2.089906 1.009932 0.425523
C 4.780362 0.599116 -0.336041
C 3.003820 2.071317 0.511889
C 4.367694 1.884844 0.130483
H -3.303254 1.103153 1.313109
H -3.521609 1.654718 -1.706188
H -2.828182 2.761109 -0.483570
H -5.046218 -0.632235 0.970194
H -4.883481 -0.463809 -0.803203
H -5.499530 2.968322 -1.257659
H -5.012401 3.311147 0.414556
H -6.227450 1.465266 1.181253
H -6.727206 1.062499 -0.473251
H -1.476599 0.418881 -0.348960
H -2.944265 -1.928511 0.714852
H -1.844515 -0.960606 1.746389
H 0.311961 -3.835669 0.838475
H -1.422680 -3.893810 1.287366
H -0.304259 -2.817315 2.181697
H -1.319468 -1.777992 -1.919182
H -0.177419 -3.144871 -1.612070
H -1.927280 -3.319568 -1.258508
H 4.166976 -1.442570 -0.771539
H 1.048437 1.156181 0.725682
H 5.824383 0.439536 -0.631806
H 2.673656 3.051963 0.876029
H 4.988609 3.850766 0.542562
H 6.247956 2.804399 -0.057465


