%chk=000174095.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174095

0 1
 S   -3.278500     -0.3384000      -1.801500    
 O   0.5456000       1.409500       1.447500    
 N    4.649300     -7.0000002E-03 -7.3299997E-02
 N    1.012400     -0.6787000      0.6458000    
 N   -1.208700      0.1403000      0.4847000    
 C    3.192600     -1.8600000E-02 -0.2672000    
 C    3.026000     -0.8784000      -1.522000    
 C    4.350700     -0.7628000      -2.268300    
 C    5.207300      0.1601000      -1.417600    
 C    2.429200     -0.5949000      0.9185000    
 C    5.103600       1.045300      0.8278000    
 C    6.609100       1.023800      0.9916000    
 C   0.1276000      0.3671000      0.9383000    
 C   -1.782500      -1.183700      0.3797000    
 C   -2.090800       1.245200      0.1676000    
 C   -2.738500      -1.515900     -0.5920000    
 C   -3.076000       1.138400     -0.8335000    
 C   -1.428500      -2.175800       1.317100    
 C   -1.997900       2.473100      0.8497000    
 C   -3.272700      -2.813200     -0.6527000    
 C   -3.907500       2.227500      -1.145700    
 C   -1.968400      -3.462200       1.258300    
 C   -2.832900       3.551700      0.5402000    
 C   -2.885700      -3.783300      0.2676000    
 C   -3.784900       3.431000     -0.4608000    
 H    2.826900      0.9940000     -0.4920000    
 H    2.193900     -0.5216000      -2.138900    
 H    2.836000      -1.932100      -1.284400    
 H    4.814100      -1.752800      -2.354400    
 H    4.214100     -0.3673000      -3.279800    
 H    6.259900     -0.1331000      -1.480900    
 H    5.105900       1.192400      -1.776800    
 H    2.577800      1.2400000E-02   1.817200    
 H    2.768400      -1.611500       1.148700    
 H    4.787000       2.038200      0.4839000    
 H    4.663800      0.8954000       1.820000    
 H   0.6892000      -1.479800      0.1148000    
 H    6.967300      2.9300001E-02   1.279500    
 H    7.130900       1.331400      8.0100000E-02
 H    6.906200       1.721900       1.781900    
 H  -0.7407000      -1.955300       2.130800    
 H   -1.315600       2.621700       1.679600    
 H   -4.000900      -3.081100      -1.415500    
 H   -4.658900       2.149700      -1.928900    
 H   -1.675300      -4.207500       1.991900    
 H   -2.740800       4.482300       1.093000    
 H   -3.307500      -4.782500      0.2166000    
 H   -4.433200       4.267100     -0.7039000    


%chk=000174095-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174095

0 1
S -2.996841 -0.037079 -1.896443
O 0.663451 1.467171 1.157562
N 4.613709 0.181142 -0.205409
N 1.001779 -0.751988 0.546574
N -1.206629 0.145683 0.552813
C 3.183229 -0.090173 -0.551578
C 3.232215 -1.080476 -1.753795
C 4.701176 -1.582216 -1.785676
C 5.482591 -0.351435 -1.284321
C 2.463400 -0.656676 0.703140
C 4.894132 1.563396 0.237264
C 6.266055 1.700641 0.922752
C 0.197248 0.350437 0.781531
C -1.779751 -1.164395 0.367834
C -2.084395 1.286720 0.423309
C -2.653625 -1.404411 -0.724272
C -3.003567 1.324956 -0.656013
C -1.540231 -2.209312 1.298387
C -2.071852 2.351781 1.356322
C -3.239824 -2.674890 -0.913400
C -3.897099 2.404923 -0.811392
C -2.102115 -3.487526 1.094393
C -2.943771 3.448443 1.184430
C -2.947507 -3.725255 -0.015486
C -3.857016 3.479124 0.105392
H 2.652955 0.844385 -0.840021
H 2.993797 -0.550350 -2.693731
H 2.502609 -1.904635 -1.649628
H 4.843852 -2.424913 -1.084745
H 5.021268 -1.909804 -2.789795
H 6.484006 -0.612033 -0.897072
H 5.620093 0.386508 -2.116842
H 2.673050 0.006418 1.559522
H 2.866001 -1.659331 0.935735
H 4.834922 2.281461 -0.622386
H 4.099583 1.858956 0.947806
H 0.601031 -1.590357 0.124593
H 6.336668 1.006223 1.778822
H 7.094294 1.474470 0.226800
H 6.410180 2.732572 1.292153
H -0.909629 -2.011549 2.171037
H -1.357077 2.324689 2.180265
H -3.921520 -2.835641 -1.755052
H -4.611422 2.405164 -1.641193
H -1.896431 -4.289113 1.811594
H -2.912573 4.276536 1.900411
H -3.392779 -4.713506 -0.170221
H -4.539239 4.326566 -0.019674


