%chk=000152606.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152606

0 1
 S   -4.038300      0.8744000      -1.099700    
 O   -3.810200       1.524500      -2.381800    
 O   -3.594100       1.515300      0.1278000    
 N    2.332600     -9.0099998E-02  -1.515500    
 N    5.320200      0.1535000       1.414200    
 N   -5.707000      0.4683000      -1.007400    
 N   -5.770200      0.7015000       1.338900    
 C    3.345700     -7.4000000E-03 -0.5220000    
 C    3.704500       1.239400      1.9999999E-04
 C    3.975100      -1.173700     -7.5099997E-02
 C   -3.313000     -0.7310000      -1.184700    
 C   -1.833800     -0.5623000      -1.271300    
 C   0.9429000     -0.2478000      -1.434100    
 C    4.710800       1.273800      0.9803000    
 C    4.970700      -1.044900      0.9080000    
 C   -1.068000     -0.5139000     -0.1066000    
 C   -1.216000     -0.4541000      -2.517300    
 C   0.3156000     -0.3570000     -0.1876000    
 C   0.1678000     -0.2973000      -2.598500    
 C    3.088700       2.427400     -0.4304000    
 C    3.634300      -2.439700     -0.5822000    
 C    5.072400       2.512100       1.504200    
 C    5.600900      -2.202400       1.357000    
 C    3.468400       3.652700      0.1093000    
 C    4.279500      -3.581500     -0.1165000    
 C    4.462500       3.694700       1.078500    
 C    5.264900      -3.462100      0.8551000    
 C   -6.219600      2.7400000E-02  0.2625000    
 C   -7.112000      -1.024700      0.3070000    
 C   -7.581300      -1.416600       1.555800    
 C   -6.248200      0.2923000       2.535400    
 C   -7.146000     -0.7507000       2.696300    
 H   -3.592100      -1.295100     -0.2894000    
 H   -3.710100      -1.250500      -2.062500    
 H    2.701900     -1.8600000E-02  -2.459100    
 H   -1.536800     -0.5979000      0.8703000    
 H   -1.800800     -0.4915000      -3.432600    
 H   0.8868000     -0.3227000      0.7365000    
 H   0.6351000     -0.2144000      -3.576700    
 H    2.311400       2.431100      -1.190000    
 H    2.871800      -2.568500      -1.346000    
 H    5.848800       2.571400       2.264900    
 H    6.376400      -2.135200       2.117900    
 H    2.992100       4.569000     -0.2257000    
 H    4.015400      -4.558000     -0.5106000    
 H   -6.118000      6.6999998E-03  -1.829200    
 H    4.766600       4.645700       1.506000    
 H    5.774900      -4.346600       1.225300    
 H   -7.443400      -1.537000     -0.5896000    
 H   -8.284600      -2.239600       1.640300    
 H   -5.877600      0.8436000       3.393300    
 H   -7.498200      -1.039200       3.680000    


%chk=000152606-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152606

0 1
S -4.057902 0.874021 -1.576178
O -4.173586 1.317852 -3.140651
O -3.370716 1.903261 -0.522020
N 2.429955 -0.784254 -1.464568
N 5.326440 0.398902 1.499295
N -5.902555 0.560668 -1.159265
N -5.472818 -0.391006 0.954153
C 3.343576 -0.383270 -0.451483
C 3.253678 0.891575 0.193587
C 4.433298 -1.255878 -0.133031
C -3.286952 -1.060966 -1.353234
C -1.825040 -1.007128 -1.375836
C 1.026545 -0.835860 -1.404269
C 4.268639 1.216227 1.195812
C 5.420864 -0.797396 0.838769
C -1.092383 -0.741350 -0.180960
C -1.095375 -1.182815 -2.588584
C 0.306589 -0.664562 -0.184628
C 0.303065 -1.102916 -2.605863
C 2.261285 1.884799 -0.123756
C 4.591146 -2.566066 -0.707555
C 4.189922 2.478474 1.884316
C 6.545287 -1.643148 1.142044
C 2.229786 3.101810 0.551375
C 5.689658 -3.359928 -0.384599
C 3.191825 3.396690 1.577968
C 6.684435 -2.889133 0.539100
C -6.315520 0.345593 0.159655
C -7.583109 0.812680 0.622129
C -7.988503 0.476473 1.926606
C -5.877839 -0.677049 2.222689
C -7.124006 -0.281434 2.754727
H -3.783802 -1.260283 -0.390163
H -3.789078 -1.518693 -2.217825
H 2.850791 -1.201337 -2.298193
H -1.639212 -0.590634 0.756198
H -1.638333 -1.369663 -3.522133
H 0.847866 -0.476192 0.746289
H 0.848294 -1.227869 -3.549461
H 1.525363 1.684533 -0.906673
H 3.821347 -2.961210 -1.379968
H 4.955078 2.678410 2.640434
H 7.271851 -1.261869 1.865913
H 1.465846 3.843810 0.296352
H 5.791370 -4.358078 -0.824393
H -6.472317 1.175201 -1.758079
H 3.141754 4.355324 2.105524
H 7.543775 -3.525248 0.777221
H -8.222588 1.417120 -0.029471
H -8.960954 0.815486 2.299511
H -5.167310 -1.251591 2.827923
H -7.400030 -0.549284 3.778152


