%chk=000137392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137392

1 1
 S   -1.476200       2.948600     -3.9799999E-02
 F    5.221300       2.751700      0.3642000    
 F    4.792300      0.7167000      0.9800000    
 F    4.918200       1.206100      -1.135000    
 N    1.767200      -4.276000      0.1533000    
 N  -0.2454000      0.1476000     -0.5904000    
 N   -5.692200      0.1866000      0.9272000    
 N   -6.468500      0.2790000     -4.8999999E-02
 N   -7.181900      0.3636000     -0.9359000    
 C    1.328200      -3.328000     -0.9000000    
 C   0.7866000      -2.066600     -0.2390000    
 C   0.2674000      -1.055900      -1.258200    
 C    2.841800      -3.640100       1.046400    
 C   0.5869000      -4.685100       1.045500    
 C    2.357500      -5.548900     -0.4695000    
 C   0.6822000       1.181900     -0.3067000    
 C   -1.614100      0.1559000     -0.2206000    
 C   0.2452000       2.490000     -1.7899999E-02
 C   -2.278500       1.362100      7.7600002E-02
 C    2.074000      0.9473000     -0.2641000    
 C   -2.363100      -1.035000     -9.8600000E-02
 C    2.987500       1.964100      2.7400000E-02
 C    1.169000       3.510500      0.2697000    
 C   -3.634000       1.363900      0.4521000    
 C    2.534600       3.247800      0.2912000    
 C   -3.708900      -1.027900      0.2782000    
 C   -4.345900      0.1731000      0.5510000    
 C    4.448700       1.666800      6.0800001E-02
 H   0.5603000      -3.819900      -1.508600    
 H    2.189100      -3.098300      -1.539000    
 H  -2.1500001E-02  -2.304100      0.4531000    
 H    1.549500      -1.594500      0.3792000    
 H    1.058300     -0.7971000      -1.975500    
 H  -0.5020000      -1.513100      -1.894800    
 H    3.604200      -3.188800      0.4047000    
 H    2.389800      -2.903500       1.715100    
 H    3.287200      -4.433000       1.656200    
 H   0.3126000      -3.863800       1.711400    
 H  -0.2486000      -4.978000      0.4031000    
 H   0.9046000      -5.535400       1.657700    
 H    3.216600      -5.260000      -1.082000    
 H    2.667600      -6.224600      0.3330000    
 H    1.583500      -6.014500      -1.086500    
 H    2.502000     -2.3700001E-02 -0.4885000    
 H   -1.942300      -2.012100     -0.3107000    
 H   0.8325000       4.523600      0.4812000    
 H   -4.141500       2.302400      0.6706000    
 H    3.224500       4.055100      0.5190000    
 H   -4.246800      -1.969700      0.3514000    


%chk=000137392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137392

1 1
S -1.503850 2.943845 -0.615666
F 5.108852 1.815204 0.781917
F 4.311740 -0.321080 0.731623
F 4.832055 0.740195 -1.194685
N 2.226864 -4.098276 0.325762
N -0.518903 -0.021379 -0.872545
N -6.022288 0.488074 0.609880
N -6.599045 1.597260 0.831022
N -7.317133 2.507041 1.076624
C 1.548721 -3.201083 -0.747931
C 0.381320 -2.333431 -0.253178
C -0.063944 -1.324379 -1.381157
C 2.834875 -3.245826 1.443480
C 1.225136 -5.085845 0.918267
C 3.352025 -4.877912 -0.360395
C 0.478254 0.924461 -0.500060
C -1.896795 0.132634 -0.496456
C 0.162917 2.297831 -0.263391
C -2.467211 1.417886 -0.288280
C 1.835040 0.541579 -0.370354
C -2.747449 -0.992395 -0.321652
C 2.833544 1.470698 0.001952
C 1.158071 3.212036 0.136200
C -3.808867 1.577403 0.097249
C 2.506344 2.813511 0.268958
C -4.102337 -0.848587 0.025243
C -4.643960 0.438329 0.245723
C 4.242200 0.974167 0.079990
H 1.221203 -3.886788 -1.550407
H 2.363376 -2.571944 -1.151428
H -0.478296 -2.958432 0.043975
H 0.674601 -1.736600 0.627485
H 0.778963 -1.136270 -2.072434
H -0.871357 -1.764927 -1.988235
H 3.495836 -2.482113 1.006291
H 2.032281 -2.758193 2.014167
H 3.410216 -3.906045 2.110610
H 0.438114 -4.534822 1.451540
H 0.783342 -5.683202 0.105917
H 1.753061 -5.746667 1.622698
H 4.090557 -4.166184 -0.759971
H 3.834493 -5.538112 0.376252
H 2.928910 -5.478685 -1.180020
H 2.143977 -0.486580 -0.555909
H -2.364269 -2.006261 -0.460801
H 0.879272 4.252871 0.327057
H -4.205204 2.584973 0.266076
H 3.273007 3.531746 0.570137
H -4.748760 -1.722926 0.138859


