%chk=000114333.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114333

0 1
 S   -1.954700      -2.147200      0.8513000    
 N    2.127500       1.240600      0.1208000    
 N  -0.2107000      0.1975000     -0.2098000    
 C   0.6900000       1.354700     -0.2904000    
 C   2.7200000E-02   2.476500      0.5532000    
 C   0.6190000       1.842600      -1.761500    
 C    2.871800       2.488500     -9.3000002E-02
 C    2.291000      0.8344000       1.522100    
 C   0.3731000      -1.091600     -0.2972000    
 C   -1.601500      0.4580000     -0.1182000    
 C  -0.3279000      -2.236700      0.1300000    
 C   -2.498300     -0.5336000      0.3265000    
 C    4.343200       2.277000      0.2073000    
 C    1.535100     -0.4540000       1.784000    
 C    1.658900      -1.294700     -0.8444000    
 C   -2.156500       1.699700     -0.4986000    
 C   0.2529000      -3.513800      3.4299999E-02
 C   -3.877700     -0.2724000      0.4082000    
 C    2.229500      -2.566800     -0.9419000    
 C   -3.528800       1.952300     -0.4202000    
 C    1.527000      -3.677200     -0.4991000    
 C   -4.390000      0.9663000      3.6699999E-02
 H  -0.6676000       2.145900       1.336100    
 H  -0.3320000       3.352100      7.9999998E-04
 H   0.7508000       2.981200       1.203600    
 H    1.417500       1.378200      -2.356200    
 H  -0.2873000       1.556200      -2.304600    
 H   0.7460000       2.926300      -1.867400    
 H    2.829100       2.788300      -1.144700    
 H    2.530700       3.343800      0.4969000    
 H    3.338300      0.6048000       1.746700    
 H    1.979100       1.601600       2.240000    
 H    4.558300       2.263400       1.280300    
 H    4.727600       1.357600     -0.2483000    
 H    4.923700       3.108000     -0.2104000    
 H   0.4571000     -0.3673000       1.913500    
 H    2.001900      -1.368900       1.430600    
 H    1.760400     -0.6235000       2.856400    
 H    2.232800     -0.5124000      -1.327100    
 H   -1.640200       2.481700      -1.035800    
 H  -0.2838000      -4.397500      0.3739000    
 H   -4.569700      -1.034500      0.7610000    
 H    3.212200      -2.687600      -1.388500    
 H   -3.925800       2.907100     -0.7534000    
 H    1.964000      -4.667900     -0.5761000    
 H   -5.457600       1.154900      9.3000002E-02


%chk=000114333-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114333

0 1
S -1.480416 -1.568311 1.590230
N 1.938824 1.253480 0.360173
N -0.254608 0.439303 -0.301768
C 0.643051 1.666040 -0.301806
C -0.051829 2.810604 0.504455
C 0.914756 2.170229 -1.754222
C 3.038530 2.242718 0.193707
C 1.775723 0.792318 1.778078
C 0.274761 -0.882865 -0.492498
C -1.685606 0.555532 -0.224912
C -0.245340 -1.955663 0.283509
C -2.420590 -0.333532 0.609727
C 4.434851 1.713583 0.576506
C 2.563735 -0.488794 2.130667
C 1.285520 -1.190258 -1.441741
C -2.430860 1.493968 -0.991668
C 0.202837 -3.282027 0.116978
C -3.825565 -0.273991 0.705498
C 1.767544 -2.508127 -1.585913
C -3.834115 1.583958 -0.872341
C 1.228538 -3.562679 -0.812805
C -4.540173 0.705325 -0.019896
H -0.452465 2.441986 1.463048
H -0.876125 3.290076 -0.045477
H 0.704520 3.588213 0.714544
H 1.706151 1.584180 -2.249009
H -0.000507 2.066244 -2.357909
H 1.209437 3.234139 -1.767348
H 3.078902 2.547141 -0.864301
H 2.847430 3.173162 0.790376
H 2.052147 1.611926 2.483040
H 0.706515 0.572660 1.945517
H 4.537976 1.554911 1.662963
H 4.645152 0.759774 0.061658
H 5.199967 2.453461 0.274798
H 2.303387 -1.301224 1.433472
H 3.655090 -0.343445 2.092069
H 2.298862 -0.812896 3.155742
H 1.708233 -0.393956 -2.054334
H -1.916138 2.156381 -1.692018
H -0.239935 -4.081054 0.720925
H -4.351756 -0.987660 1.348257
H 2.560567 -2.712141 -2.313992
H -4.376178 2.329670 -1.464412
H 1.594723 -4.587529 -0.933744
H -5.629923 0.766771 0.066577


