%chk=000055031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055031

0 1
 N   -3.114900      -1.196600      0.2965000    
 N   -3.041400       1.086300     -0.3055000    
 N    3.271100      0.1067000      0.1026000    
 C   -2.400500     -0.2247000     -0.5571000    
 C   -3.863500     -0.4077000       1.269000    
 C   -4.273000      0.7884000      0.4280000    
 C  -0.8909000     -0.1365000     -0.3815000    
 C   -2.368700      -2.294700      0.8768000    
 C   -3.284500       1.860600      -1.514100    
 C  -5.6100000E-02 -0.9698000      -1.122900    
 C  -0.3489000      0.7771000      0.5202000    
 C    1.872300      2.4499999E-02 -5.9799999E-02
 C    1.327200     -0.8892000     -0.9618000    
 C    1.034200      0.8577000      0.6811000    
 C    4.150600     -0.7539000     -0.6631000    
 C    3.847500       1.062500       1.027100    
 C    4.227400      -2.125900     -2.1299999E-02
 C    3.912100       2.435500      0.3860000    
 H   -2.601300     -0.5327000      -1.592700    
 H   -3.234700     -9.4999999E-02   2.112400    
 H   -4.734900     -0.9481000       1.651300    
 H   -5.096800      0.5159000     -0.2451000    
 H   -4.585900       1.633200       1.049100    
 H   -1.603800      -1.960600       1.586000    
 H   -1.893000      -2.900000      9.8399997E-02
 H   -3.046700      -2.966600       1.415300    
 H   -2.341600       2.080800      -2.026200    
 H   -3.742800       2.823300      -1.262900    
 H   -3.944300       1.340200      -2.217700    
 H  -0.4693000      -1.684400      -1.829700    
 H  -0.9727000       1.427000       1.127200    
 H    1.921400      -1.561700      -1.570100    
 H    1.392500       1.583700       1.402200    
 H    3.870100     -0.8128000      -1.720800    
 H    5.163400     -0.3302000     -0.6769000    
 H    3.329300       1.085700       1.992100    
 H    4.872000      0.7593000       1.280300    
 H    3.261700      -2.637600      1.1100000E-02
 H    4.594100      -2.054100       1.008800    
 H    4.922200      -2.762200     -0.5790000    
 H    2.926500       2.831000      0.1256000    
 H    4.507700       2.409400     -0.5333000    
 H    4.385700       3.146900       1.070300    


%chk=000055031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055031

0 1
N -3.191313 -1.156803 0.510213
N -3.191245 0.983594 -0.446656
N 3.277732 0.097036 0.066345
C -2.499025 -0.332053 -0.546123
C -4.043720 -0.264757 1.326145
C -4.458970 0.791100 0.290295
C -0.983534 -0.184357 -0.405033
C -2.410001 -2.161550 1.239338
C -3.259497 1.750488 -1.693810
C -0.104076 -0.975035 -1.181101
C -0.404578 0.709561 0.529464
C 1.884669 0.002451 -0.087964
C 1.294853 -0.896629 -1.033633
C 0.988865 0.810767 0.687813
C 4.202785 -0.644249 -0.810350
C 3.883444 0.938816 1.114618
C 4.491519 -2.088587 -0.333477
C 4.086593 2.414002 0.691099
H -2.696229 -0.824508 -1.533718
H -3.494862 0.217656 2.172399
H -4.905816 -0.820223 1.740693
H -5.282451 0.395486 -0.353646
H -4.792216 1.740344 0.748380
H -1.657032 -1.730581 1.942120
H -1.868693 -2.810342 0.528770
H -3.100148 -2.800387 1.821851
H -2.241505 1.886936 -2.100154
H -3.682135 2.751890 -1.494188
H -3.885422 1.260137 -2.481889
H -0.521621 -1.673862 -1.919093
H -1.071904 1.359195 1.107128
H 1.924846 -1.543782 -1.650913
H 1.382517 1.538703 1.403476
H 3.804287 -0.657417 -1.842354
H 5.152940 -0.078501 -0.858111
H 3.267582 0.887804 2.032100
H 4.863209 0.497695 1.380647
H 3.561121 -2.679921 -0.277109
H 4.949641 -2.083845 0.672289
H 5.187731 -2.597525 -1.026518
H 3.124871 2.884367 0.422567
H 4.752118 2.480444 -0.188852
H 4.543474 2.997144 1.512843


