%chk=000100217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100217

0 1
 N    1.836500       1.253000     -0.3077000    
 N   -1.599000      -1.546400      0.1478000    
 C    1.718400     -0.1809000     -0.6267000    
 C   0.8109000     -0.9233000      0.3883000    
 C    2.629700      0.1503000       1.757100    
 C    3.140200     -0.8078000     -0.5174000    
 C    1.317900     -0.6565000       1.820400    
 C    3.668100     -0.6200000      0.9219000    
 C    2.333800       1.489100       1.054100    
 C  -0.6335000     -0.5737000      0.2101000    
 C   0.7070000       2.087400     -0.7136000    
 C    4.117400     -0.2458000      -1.552500    
 C   -1.257000      0.6535000      6.4900003E-02
 C  -0.5920000       1.989900      9.9399999E-02
 C   -2.659400      0.3972000     -8.8799998E-02
 C    5.453400     -0.9580000      -1.490600    
 C   -2.839000     -0.9851000     -3.5000000E-02
 C   -3.797300       1.213800     -0.2650000    
 C   -4.093800      -1.593900     -0.1529000    
 C   -5.059300      0.6206000     -0.3843000    
 C   -5.203000     -0.7632000     -0.3295000    
 H    1.351800     -0.3196000      -1.652100    
 H   0.9127000      -2.002100      0.1981000    
 H    3.012800      0.3267000       2.768100    
 H    3.048700      -1.886700     -0.7074000    
 H   0.5784000     -0.1150000       2.423400    
 H    1.493800      -1.611500       2.331400    
 H    4.610500     -6.2700003E-02  0.9502000    
 H    3.864600      -1.598600       1.376300    
 H    1.636500       2.067100       1.669100    
 H    3.252000       2.085000      0.9892000    
 H   0.4850000       1.892700      -1.771400    
 H    1.040500       3.133000     -0.6830000    
 H    4.279500      0.8283000      -1.406900    
 H    3.694800     -0.3719000      -2.556600    
 H   -1.281400       2.744200     -0.3007000    
 H  -0.4257000       2.271800       1.145000    
 H   -1.424500      -2.539100      0.2232000    
 H    5.994100     -0.7639000     -0.5607000    
 H    5.330700      -2.040900      -1.597600    
 H    6.093200     -0.6156000      -2.311100    
 H   -3.705600       2.295300     -0.3094000    
 H   -4.205900      -2.672100     -0.1079000    
 H   -5.935800       1.248500     -0.5210000    
 H   -6.191700      -1.204700     -0.4238000    


%chk=000100217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100217

0 1
N 1.846707 1.248773 -0.240917
N -1.632488 -1.586013 0.161357
C 1.785277 -0.189311 -0.600346
C 0.811175 -0.985366 0.331923
C 2.594802 0.102623 1.815667
C 3.208826 -0.809407 -0.482619
C 1.325415 -0.790182 1.814892
C 3.719494 -0.561776 0.980927
C 2.241464 1.470389 1.178684
C -0.633409 -0.588242 0.134884
C 0.775047 2.114628 -0.768586
C 4.167831 -0.257171 -1.562693
C -1.253140 0.659014 -0.040577
C -0.613240 2.030743 -0.066312
C -2.684055 0.411651 -0.122765
C 5.547982 -0.949753 -1.572784
C -2.894092 -1.007951 0.002602
C -3.814298 1.255195 -0.292985
C -4.177541 -1.593424 -0.042341
C -5.099601 0.678787 -0.336572
C -5.280721 -0.730683 -0.213204
H 1.432180 -0.259285 -1.646953
H 0.902821 -2.060222 0.065498
H 2.936797 0.266272 2.855824
H 3.103054 -1.902815 -0.652374
H 0.536828 -0.318246 2.430023
H 1.557483 -1.768648 2.276473
H 4.600938 0.108507 0.967808
H 4.040946 -1.505914 1.460053
H 1.417833 1.935487 1.765499
H 3.112077 2.158821 1.239606
H 0.648424 1.868270 -1.840524
H 1.123531 3.166861 -0.715711
H 4.279938 0.833091 -1.406052
H 3.695638 -0.381035 -2.559532
H -1.290374 2.735917 -0.589114
H -0.523322 2.425924 0.968397
H -1.442448 -2.582280 0.248645
H 6.068883 -0.833445 -0.604072
H 5.448714 -2.034472 -1.770936
H 6.202405 -0.523237 -2.355286
H -3.693021 2.340673 -0.386809
H -4.320334 -2.676007 0.053228
H -5.978468 1.320493 -0.466581
H -6.292959 -1.148832 -0.250947


