%chk=000114404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114404

0 1
 N   -2.947700      -2.789300      0.8909000    
 C  -0.1061000     -0.4078000      3.8999999E-03
 C   0.1908000     -0.8994000      -1.449500    
 C    1.503900     -0.2141000      -1.884500    
 C    1.329700     -0.2986000      0.5001000    
 C    2.232400     -0.1834000     -0.5710000    
 C  -0.8821000      -1.485000      0.7836000    
 C  -0.8944000      0.9105000     -1.4100000E-02
 C    2.204200     -0.9755000      -2.999900    
 C   -2.224500      -1.781700      0.1243000    
 C    1.788400     -0.2955000       1.812800    
 C    3.592900     -3.5900000E-02 -0.3432000    
 C  -0.5990000       1.905300      0.9134000    
 C   -1.899400       1.102200     -0.9575000    
 C    3.158600     -0.1614000       2.044700    
 C    4.053700     -2.9300001E-02  0.9746000    
 C   -1.315200       3.102300      0.8974000    
 C   -2.615500       2.299100     -0.9737000    
 C   -2.323200       3.299200     -4.6200000E-02
 C   -4.247600      -3.061700      0.2941000    
 H  -0.5877000     -0.7495000      -2.199900    
 H   0.3635000      -1.987900      -1.428600    
 H    1.304100      0.8160000      -2.204400    
 H   -1.050600      -1.154600       1.818100    
 H  -0.2943000      -2.411400      0.8482000    
 H    3.130000     -0.4718000      -3.297400    
 H    2.466700      -1.994100      -2.692900    
 H    1.560700      -1.041800      -3.883400    
 H   -2.086800      -2.137500     -0.9018000    
 H   -2.861100     -0.8960000      0.1137000    
 H    1.105700     -0.3881000       2.650700    
 H    4.293800      7.1099997E-02  -1.164100    
 H   0.1630000       1.792100       1.674800    
 H   -2.180800      0.3561000      -1.691600    
 H    3.534800     -0.1540000       3.064100    
 H    5.116300      8.0499999E-02   1.173600    
 H   -3.077200      -2.465900       1.849200    
 H   -1.090800       3.879800       1.621900    
 H   -3.403400       2.451600      -1.705600    
 H   -2.882000       4.230400     -5.7700001E-02
 H   -4.881900      -2.169200      0.2827000    
 H   -4.762000      -3.830800      0.8788000    
 H   -4.144100      -3.441300     -0.7276000    


%chk=000114404-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114404

0 1
N -2.961875 -2.897217 0.947573
C -0.146057 -0.393254 -0.093944
C 0.173687 -0.881769 -1.552750
C 1.532463 -0.219835 -1.934008
C 1.285762 -0.286639 0.470894
C 2.234190 -0.169900 -0.578422
C -0.977697 -1.438860 0.718066
C -0.859883 0.990214 -0.091319
C 2.298149 -0.957109 -3.049333
C -2.345143 -1.831677 0.126207
C 1.711390 -0.304318 1.814224
C 3.608183 -0.050064 -0.291732
C -0.521422 1.994899 0.852985
C -1.913074 1.274922 -1.003495
C 3.093640 -0.192498 2.105822
C 4.036524 -0.059712 1.059237
C -1.204470 3.231897 0.887175
C -2.596021 2.510802 -0.976790
C -2.246780 3.498536 -0.028087
C -4.270242 -3.365524 0.454641
H -0.617860 -0.654836 -2.285678
H 0.309260 -1.982158 -1.533163
H 1.334922 0.822178 -2.268126
H -1.136228 -1.046688 1.744985
H -0.375789 -2.362938 0.815219
H 3.249421 -0.449238 -3.294472
H 2.534013 -1.993810 -2.745008
H 1.696529 -0.999949 -3.976105
H -2.208587 -2.236014 -0.897008
H -2.999413 -0.930754 0.036640
H 0.989966 -0.421942 2.631593
H 4.343451 0.035818 -1.100535
H 0.298026 1.819323 1.556420
H -2.206440 0.529694 -1.750536
H 3.435079 -0.214425 3.147041
H 5.103507 0.024836 1.295600
H -3.000969 -2.624498 1.939497
H -0.915150 3.989322 1.624974
H -3.400982 2.700579 -1.696301
H -2.774092 4.458862 -0.005950
H -5.038526 -2.560333 0.342307
H -4.673813 -4.132658 1.139272
H -4.141847 -3.839564 -0.536610


