%chk=000099412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099412

0 1
 P   -3.397300     -2.0099999E-02  0.8508000    
 P    3.395400     -5.3399999E-02 -0.8376000    
 N   -6.408900      -3.939300     -0.8104000    
 N   -5.377000       4.619700     -0.4687000    
 N    5.455900      -4.563700      0.7742000    
 N    6.337500       4.043600      0.4829000    
 C  -0.6121000      0.1654000      0.3668000    
 C   0.6337000     -0.2723000     -0.4143000    
 C   -1.894600     -0.5234000     -9.9299997E-02
 C    1.875000      0.4753000      7.2200000E-02
 C   -4.655200      -1.042900     -2.7000001E-03
 C   -3.720100       1.606500      7.2099999E-02
 C    3.761100      -1.608500      5.8800001E-02
 C    4.619600       1.065100     -5.9200000E-02
 C   -4.616700      -2.495600      0.4630000    
 C   -4.921900       2.307300      0.6992000    
 C    4.985100      -2.318600     -0.5125000    
 C    4.541400       2.477900     -0.6307000    
 C   -5.618400      -3.301500     -0.2492000    
 C   -5.175500       3.599300      4.5699999E-02
 C    5.247300      -3.573200      0.2070000    
 C    5.545500       3.352100     -7.7999998E-03
 H  -0.4532000     -3.9099999E-02   1.433800    
 H  -0.7193000       1.253100      0.2731000    
 H   0.7610000      -1.355100     -0.2983000    
 H   0.4753000     -8.3499998E-02  -1.483900    
 H   -2.049900     -0.3312000      -1.167100    
 H   -1.760900      -1.605000      1.1100000E-02
 H    2.011500      0.3257000       1.149100    
 H    1.721800       1.547900     -8.7200001E-02
 H   -4.516600     -0.9892000      -1.089500    
 H   -5.650900     -0.6324000      0.2023000    
 H   -3.868600       1.489700      -1.008300    
 H   -2.837800       2.245600      0.1954000    
 H    3.901800      -1.410800       1.128400    
 H    2.897100      -2.278700     -2.0300001E-02
 H    4.480200       1.088100       1.028500    
 H    5.626700      0.6683000     -0.2335000    
 H   -3.628100      -2.937300      0.2931000    
 H   -4.806800      -2.555300       1.541900    
 H   -5.823100       1.688700      0.6154000    
 H   -4.751500       2.472100       1.770400    
 H    4.836700      -2.539800      -1.576900    
 H    5.873500      -1.680100     -0.4443000    
 H    4.704400       2.460900      -1.715600    
 H    3.548500       2.912600     -0.4685000    


%chk=000099412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099412

0 1
P -3.477827 -0.051929 0.907852
P 3.466429 -0.025682 -0.881981
N -6.606504 -4.044570 -0.823127
N -5.467165 4.741127 -0.420811
N 5.610781 -4.664640 0.726562
N 6.505754 4.170099 0.485718
C -0.633988 0.172170 0.415196
C 0.626849 -0.250002 -0.379873
C -1.910257 -0.533505 -0.092814
C 1.899415 0.474718 0.109967
C -4.759761 -1.110934 -0.058298
C -3.834149 1.630466 0.051314
C 3.891122 -1.630544 0.085186
C 4.728356 1.140413 -0.018046
C -4.808105 -2.566595 0.479831
C -5.044872 2.356321 0.697680
C 5.078508 -2.391378 -0.564087
C 4.745098 2.542825 -0.683996
C -5.798981 -3.390549 -0.236402
C -5.288440 3.675350 0.085437
C 5.381493 -3.649192 0.143123
C 5.717150 3.449147 -0.045705
H -0.486805 -0.054632 1.490021
H -0.752312 1.272328 0.339367
H 0.755802 -1.348228 -0.291086
H 0.472769 -0.038823 -1.456908
H -2.084118 -0.308200 -1.164139
H -1.793260 -1.630887 0.000338
H 2.076428 0.277770 1.186309
H 1.777323 1.569014 -0.009847
H -4.513526 -1.103777 -1.136637
H -5.751721 -0.640165 0.065015
H -4.007132 1.472468 -1.029621
H -2.928703 2.253350 0.161573
H 4.117384 -1.384856 1.139577
H 2.990037 -2.269317 0.073259
H 4.483210 1.224297 1.057181
H 5.729130 0.679490 -0.101316
H -3.817898 -3.052226 0.383356
H -5.057970 -2.564665 1.557918
H -5.966157 1.750785 0.597025
H -4.870187 2.493226 1.781916
H 4.847953 -2.623067 -1.621335
H 5.991439 -1.764977 -0.567326
H 4.994962 2.450133 -1.758019
H 3.744044 3.012746 -0.629945


