%chk=000113917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113917

0 1
 S   -2.131800      -1.650000       1.275900    
 N   0.2509000     -0.7576000     -0.5103000    
 N    4.025900       2.319100      0.5139000    
 N   -4.874700       3.742500      9.2500001E-02
 C    2.182200      0.7145000      4.9400002E-02
 C    1.551100     -0.2514000     -0.9690000    
 C    3.515100       1.325300     -0.4242000    
 C    2.374200      3.7999999E-02   1.411500    
 C  -0.8059000      0.1790000     -0.3818000    
 C   0.1332000      -2.154100     -0.2948000    
 C   -1.951500     -0.1192000      0.3822000    
 C  -0.9192000      -2.683300      0.4782000    
 C  -0.7797000       1.430400      -1.035600    
 C    1.034600      -3.077800     -0.8679000    
 C    3.080600       3.427700      0.6546000    
 C    5.331200       2.816400      7.6700002E-02
 C   -3.000200      0.8102000      0.5000000    
 C   -1.035400      -4.069800      0.6828000    
 C   -1.826900       2.348500     -0.9191000    
 C   0.9115000      -4.455100     -0.6654000    
 C   -2.937000       2.039400     -0.1478000    
 C  -0.1227000      -4.951300      0.1135000    
 C   -4.005500       2.978500     -1.5400000E-02
 H    1.470500       1.526600      0.2064000    
 H    1.458300      0.2148000      -1.957600    
 H    2.311800      -1.019200      -1.116800    
 H    3.377900       1.765100      -1.421400    
 H    4.246300      0.5137000     -0.5356000    
 H    1.426300     -0.3303000       1.816400    
 H    2.779000      0.7262000       2.160200    
 H    3.058900     -0.8137000       1.333500    
 H   4.7400001E-02   1.728900      -1.673600    
 H    1.830600      -2.785400      -1.544400    
 H    3.536900       4.246200       1.225100    
 H    2.196800       3.145600       1.234200    
 H    2.765000       3.836000     -0.3124000    
 H    6.050800       1.993700     -6.9999998E-04
 H    5.741100       3.520300      0.8096000    
 H    5.277200       3.321000     -0.8949000    
 H   -3.874100      0.5709000       1.105300    
 H   -1.841600      -4.478500       1.288900    
 H   -1.756200       3.299500      -1.442000    
 H    1.617700      -5.137000      -1.130400    
 H  -0.2237000      -6.020400      0.2727000    


%chk=000113917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113917

0 1
S -1.841791 -1.608691 1.675948
N 0.325291 -0.783854 -0.328756
N 4.099867 2.486535 0.464510
N -5.120670 3.473084 -0.167963
C 2.201878 0.813614 0.256472
C 1.658817 -0.263437 -0.721985
C 3.476992 1.436336 -0.369834
C 2.478491 0.218876 1.651926
C -0.777699 0.106312 -0.288262
C 0.105566 -2.200117 -0.269480
C -1.913065 -0.180693 0.527226
C -0.902009 -2.739556 0.575919
C -0.801239 1.303781 -1.059736
C 0.855047 -3.102517 -1.071717
C 3.278388 3.708093 0.579108
C 5.481427 2.789284 0.038850
C -3.034616 0.661270 0.543379
C -1.148997 -4.124891 0.629597
C -1.905177 2.171716 -1.022108
C 0.635994 -4.494798 -0.989938
C -3.040115 1.859644 -0.225767
C -0.364546 -5.014506 -0.139683
C -4.174941 2.739315 -0.192252
H 1.436192 1.606926 0.360271
H 1.646584 0.126791 -1.763033
H 2.360110 -1.114154 -0.704535
H 3.225800 1.825660 -1.396115
H 4.229199 0.633085 -0.508633
H 1.554384 -0.180281 2.106666
H 2.902822 0.992537 2.313587
H 3.216078 -0.604991 1.588222
H 0.046094 1.553415 -1.703484
H 1.599331 -2.720052 -1.776555
H 3.793490 4.436576 1.229786
H 2.303918 3.478897 1.043081
H 3.085807 4.201421 -0.408816
H 6.088594 1.866723 0.057817
H 5.936004 3.510487 0.741430
H 5.545916 3.226387 -0.990726
H -3.898466 0.408870 1.165673
H -1.942551 -4.504960 1.281488
H -1.900656 3.088179 -1.620036
H 1.237434 -5.169536 -1.608481
H -0.542070 -6.092875 -0.080661


