%chk=000060596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060596

0 1
 N  -0.1386000     -1.7000000E-03 -3.9999999E-04
 N    2.739500     -1.8000000E-03  1.0000000E-03
 N   -4.301100      2.2000000E-03  5.0000002E-04
 C   0.6156000     -6.3100003E-02  -1.252100    
 C   0.6144000      5.9599999E-02   1.252300    
 C    1.986300     -0.7097000      -1.034100    
 C    1.985500      0.7059000       1.035600    
 C   -1.531000     -5.0000002E-04 -1.0000000E-03
 C   -2.225300      -1.213000      5.7500001E-02
 C   -2.223000       1.213500     -5.8800001E-02
 C    4.131900     -1.1000000E-03  1.1000000E-03
 C   -3.629600      -1.164200      5.6000002E-02
 C   -3.627400       1.167400     -5.5799998E-02
 C   -1.555500      -2.447600      0.1165000    
 C   -1.550900       2.446700     -0.1183000    
 C    4.868700      -1.089900     -0.5217000    
 C    4.868100       1.088400      0.5230000    
 C   -4.326600      -2.368200      0.1141000    
 C   -4.322200       2.372600     -0.1131000    
 C   -2.275700      -3.636900      0.1739000    
 C   -2.268900       3.637500     -0.1749000    
 C    6.263500      -1.089100     -0.5228000    
 C    6.263000       1.089300      0.5221000    
 C   -3.664100      -3.596800      0.1727000    
 C   -3.657400       3.600000     -0.1723000    
 C    6.960800      5.0000002E-04 -8.9999998E-04
 H   0.7404000      0.9513000      -1.649800    
 H   6.8000004E-02 -0.6431000      -2.005000    
 H   0.7387000     -0.9549000       1.649900    
 H   6.6200003E-02  0.6396000       2.004700    
 H    2.522000     -0.6895000      -1.991200    
 H    1.864100      -1.759100     -0.7389000    
 H    2.520600      0.6853000       1.992900    
 H    1.863800       1.755300      0.7405000    
 H  -0.4715000      -2.519100      0.1171000    
 H  -0.4669000       2.516200     -0.1198000    
 H    4.358400      -1.961800     -0.9248000    
 H    4.357200       1.959800      0.9266000    
 H   -5.415100      -2.363200      0.1144000    
 H   -5.410700       2.369700     -0.1123000    
 H   -1.756200      -4.589100      0.2187000    
 H   -1.747600       4.588800     -0.2202000    
 H   -4.235700      -4.519100      0.2171000    
 H   -4.227200       4.523500     -0.2160000    
 H    6.807200      -1.937800     -0.9274000    
 H    6.806200       1.938700      0.9257000    
 H    8.046800      1.1000000E-03 -1.7000000E-03


%chk=000060596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060596

0 1
N -0.095672 -0.001154 0.000717
N 2.821440 -0.001258 0.000336
N -4.420060 0.001951 -0.000522
C 0.682550 -0.514305 -1.145922
C 0.682920 0.511860 1.147153
C 2.055056 -1.051839 -0.697369
C 2.055369 1.049340 0.698342
C -1.513481 -0.000051 0.000337
C -2.251969 -1.229513 -0.063415
C -2.250290 1.230440 0.063645
C 4.225945 -0.001204 0.000004
C -3.710587 -1.167432 -0.098182
C -3.709030 1.170349 0.097549
C -1.623723 -2.523485 -0.031845
C -1.620283 2.523572 0.032390
C 4.965468 -1.149187 -0.426975
C 4.965526 1.146851 0.426678
C -4.458178 -2.394226 -0.198623
C -4.455008 2.398163 0.197526
C -2.379143 -3.690732 -0.107745
C -2.374168 3.691841 0.107798
C 6.374905 -1.138848 -0.428165
C 6.374964 1.136682 0.427229
C -3.811105 -3.625726 -0.215625
C -3.806281 3.628784 0.214854
C 7.097741 -0.001038 -0.000638
H 0.849005 0.292133 -1.894744
H 0.124090 -1.317195 -1.658852
H 0.849524 -0.294676 1.895825
H 0.124618 1.314694 1.660329
H 2.609058 -1.365078 -1.602358
H 1.919066 -1.955847 -0.061090
H 2.609646 1.362435 1.603218
H 1.919337 1.953433 0.062182
H -0.536938 -2.579226 0.091567
H -0.533357 2.577896 -0.090385
H 4.443658 -2.061841 -0.731204
H 4.443735 2.059425 0.731184
H -5.548199 -2.308851 -0.244700
H -5.545170 2.314261 0.242980
H -1.885091 -4.667931 -0.067931
H -1.878770 4.668367 0.068227
H -4.390527 -4.552833 -0.286747
H -4.384483 4.556679 0.285614
H 6.912011 -2.036698 -0.756358
H 6.912111 2.034590 0.755195
H 8.192466 -0.000973 -0.000885


