%chk=000057743.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057743

0 1
 S   0.1134000       2.526100      0.8045000    
 O   -1.064500      -1.161600     -0.8478000    
 O  -0.1518000       1.592800      -1.640600    
 N    3.782300      0.8089000      0.4879000    
 N   -5.648000     -0.8238000      0.5632000    
 C    2.371000      0.9621000      0.8402000    
 C    4.409700     -0.2138000       1.324100    
 C    3.921600      0.4682000     -0.9274000    
 C    1.865700       2.321400      0.3731000    
 C    3.770000      -1.573700       1.100900    
 C    5.384000      0.3651000      -1.325900    
 C   -1.944200      0.9859000     -0.2416000    
 C   -2.101300     -0.3891000     -0.4166000    
 C  -0.6432000       1.645800     -0.5199000    
 C  -0.6355000      -2.210900      1.7200001E-02
 C   -3.017200       1.759800      0.2004000    
 C   0.5342000      -2.935300     -0.6312000    
 C   -3.331300     -0.9901000     -0.1496000    
 C   -4.404400     -0.2162000      0.2923000    
 C   -4.247200       1.158700      0.4673000    
 C    1.036800      -4.080300      0.2297000    
 H    2.249300      0.9183000       1.931200    
 H    1.755200      0.1610000      0.4121000    
 H    5.492300     -0.2659000       1.167200    
 H    4.303100      6.4199999E-02   2.380700    
 H    3.376400     -0.4335000      -1.228300    
 H    3.505400       1.276800      -1.538600    
 H    2.420500       3.116000      0.8853000    
 H    1.992000       2.490200     -0.6990000    
 H    2.700400      -1.588800       1.324500    
 H    3.935700      -1.977900      9.8899998E-02
 H    4.230200      -2.291200       1.791300    
 H    5.961900       1.226700     -0.9737000    
 H    5.856200     -0.5516000     -0.9602000    
 H    5.465300      0.3450000      -2.418700    
 H  -0.3282000      -1.784500      0.9800000    
 H   -1.448000      -2.925100      0.1911000    
 H   -2.919500       2.834300      0.3318000    
 H    1.346400      -2.224400     -0.8224000    
 H   0.2322000      -3.315400      -1.614600    
 H   -3.467900      -2.057900     -0.3014000    
 H   -5.076600       1.772800      0.8089000    
 H    1.353000      -3.724800       1.215200    
 H   0.2558000      -4.833900      0.3728000    
 H    1.893400      -4.566000     -0.2478000    
 H   -5.763300      -1.820400      0.4355000    
 H   -6.426600     -0.2628000      0.8822000    


%chk=000057743-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057743

0 1
S 0.315881 2.396893 0.620703
O -1.419735 -1.859727 -0.391842
O 0.493610 0.054405 -0.812403
N 4.351140 1.372824 0.287097
N -5.861101 -0.250124 0.894006
C 3.010606 1.519103 0.902890
C 5.486032 1.528963 1.227798
C 4.441742 0.220640 -0.646484
C 2.084843 2.319700 -0.035879
C 5.657415 0.406584 2.290211
C 5.586260 0.357875 -1.668278
C -1.728449 0.478658 0.123697
C -2.289191 -0.840872 -0.018211
C -0.304379 0.762448 -0.153488
C -1.941995 -3.233862 -0.529113
C -2.614035 1.515979 0.531739
C -0.759471 -4.111162 -0.947163
C -3.658160 -1.074102 0.243696
C -4.514287 -0.012346 0.645063
C -3.971977 1.299234 0.787018
C -1.182088 -5.585295 -1.128687
H 3.108453 2.059558 1.862973
H 2.533920 0.538387 1.128479
H 6.417531 1.617077 0.637482
H 5.356461 2.499223 1.745283
H 4.544112 -0.750403 -0.100346
H 3.480303 0.161133 -1.188673
H 2.423747 3.361968 -0.145139
H 2.026114 1.841084 -1.027157
H 4.750664 0.307439 2.914950
H 5.857096 -0.573245 1.819640
H 6.507869 0.639508 2.958400
H 5.489536 1.308752 -2.221537
H 6.580545 0.340482 -1.185368
H 5.553281 -0.477449 -2.392299
H -2.366877 -3.572655 0.439673
H -2.742806 -3.252886 -1.298228
H -2.215021 2.531157 0.627472
H 0.032574 -4.027896 -0.180630
H -0.336320 -3.710383 -1.886107
H -4.074850 -2.080617 0.142674
H -4.618350 2.131802 1.085735
H -1.584183 -6.010327 -0.189467
H -1.959519 -5.690429 -1.909010
H -0.318438 -6.202637 -1.432213
H -6.259131 -1.179115 0.790971
H -6.474673 0.505857 1.184271


