%chk=000044060.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044060

0 1
 N   -2.473900     -0.8948000      0.2449000    
 N   -6.145500     -0.2608000      0.1695000    
 C    1.228500     -0.2648000     -0.5738000    
 C  -2.9600000E-02 -0.9425000      2.9800000E-02
 C   -1.327400     -0.2262000     -0.3610000    
 C    1.361300       1.205200     -0.1870000    
 C    2.521200      -1.024800     -0.3045000    
 C   -3.714200     -0.2198000     -0.1090000    
 C   -4.904100     -0.9475000      0.5094000    
 C    2.057000       1.529300      0.9576000    
 C    2.625300      -1.772100      0.8501000    
 C   0.7814000       2.158900     -0.9953000    
 C    3.546300     -0.9416000      -1.223500    
 C    2.178500       2.873200       1.311400    
 C    3.808800      -2.468000       1.096900    
 C   0.9027000       3.502800     -0.6413000    
 C    4.730000      -1.637500     -0.9764000    
 C    1.601100       3.860000      0.5122000    
 C    4.861400      -2.400600      0.1839000    
 C   -6.318100     -0.1978000      -1.282600    
 C   -7.290400     -0.9305000      0.7887000    
 H    1.087500     -0.3073000      -1.665400    
 H   2.0400001E-02 -0.9394000       1.126100    
 H  -7.4800000E-02  -1.991200     -0.2933000    
 H   -1.423000     -0.2136000      -1.453300    
 H   -1.311800      0.8066000     -6.9999998E-04
 H   -2.507300      -1.866200     -6.3400000E-02
 H   -3.692500      0.8183000      0.2455000    
 H   -3.779900     -0.2080000      -1.201600    
 H   -4.925900      -1.992900      0.1722000    
 H   -4.781300     -0.9620000       1.600300    
 H    2.497600      0.7941000       1.620000    
 H    1.841500      -1.839800       1.594600    
 H   0.2400000       1.892700      -1.897900    
 H    3.453600     -0.3490000      -2.128600    
 H    2.717200       3.151400       2.212500    
 H    3.913100      -3.059200       2.002200    
 H   0.4540000       4.271100      -1.264100    
 H    5.549500      -1.584400      -1.687100    
 H    1.694500       4.906100      0.7885000    
 H    5.783300      -2.941300      0.3770000    
 H   -7.324800      0.1609000      -1.530900    
 H   -6.188200      -1.173600      -1.764800    
 H   -5.643700      0.5300000      -1.743900    
 H   -7.178200     -0.9564000       1.878500    
 H   -7.412000      -1.958900      0.4295000    
 H   -8.215900     -0.3810000      0.5838000    


%chk=000044060-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044060

0 1
N -2.492619 -0.830363 0.016563
N -6.265310 -0.346875 0.074596
C 1.284269 -0.232874 -0.634414
C -0.012838 -0.848829 -0.036853
C -1.296938 -0.152699 -0.526852
C 1.448328 1.233863 -0.200014
C 2.549037 -1.052320 -0.325491
C -3.780985 -0.188422 -0.324839
C -4.936294 -0.922987 0.384534
C 1.854589 1.559017 1.120225
C 2.599645 -2.047614 0.682661
C 1.166694 2.291411 -1.100681
C 3.730364 -0.792485 -1.070605
C 1.968430 2.905088 1.529935
C 3.794058 -2.762059 0.938445
C 1.282263 3.641618 -0.695779
C 4.922913 -1.503363 -0.821470
C 1.682059 3.953444 0.623229
C 4.960287 -2.494486 0.188475
C -6.748296 -0.682948 -1.280121
C -7.273092 -0.671578 1.104728
H 1.160953 -0.230257 -1.738199
H 0.004369 -0.797393 1.068141
H -0.055453 -1.923513 -0.312431
H -1.291247 -0.111962 -1.648493
H -1.309968 0.896276 -0.175482
H -2.497779 -1.831673 -0.229268
H -3.759565 0.857651 0.032196
H -3.963797 -0.148530 -1.427792
H -4.891505 -2.017918 0.130531
H -4.763212 -0.843284 1.472743
H 2.098086 0.753198 1.823004
H 1.706458 -2.276317 1.273316
H 0.855088 2.056287 -2.126519
H 3.711749 -0.017922 -1.847785
H 2.285580 3.138391 2.552933
H 3.811182 -3.527797 1.722706
H 1.061416 4.445861 -1.407034
H 5.821227 -1.286677 -1.410954
H 1.773520 4.998378 0.940383
H 5.884742 -3.048881 0.385587
H -7.703210 -0.161444 -1.472290
H -6.919435 -1.781956 -1.423860
H -6.023424 -0.348400 -2.041213
H -6.921724 -0.325377 2.092753
H -7.498639 -1.766698 1.180836
H -8.218778 -0.147485 0.875622


