%chk=000064547.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064547

0 1
 S    7.682900     -0.7524000      4.6599999E-02
 N   -1.213700     -0.3937000     -1.5600000E-02
 N    2.480700     -0.8976000     -2.8999999E-02
 N    10.17080      0.1187000      2.6600000E-02
 N    8.496600       1.783800     -2.5699999E-02
 C   -3.666600     -0.5189000      4.1000000E-03
 C   -6.193700     -0.7112000      5.0900001E-02
 C   -5.102100       1.134300      -1.273100    
 C   -5.060000       1.196100       1.245900    
 C   -4.868100      -1.492600      4.7800001E-02
 C   -3.779400      0.3479000      -1.272400    
 C   -3.737600      0.4094000       1.239600    
 C   -6.278800      0.1458000      -1.223000    
 C   -6.237000      0.2072000       1.283500    
 C   -5.150800       2.043600     -3.4100000E-02
 C   -2.349800      -1.299900      1.2000001E-03
 C   4.4199999E-02  -1.130200     -8.2999999E-03
 C    1.221700     -0.1610000     -5.4299999E-02
 C    3.615400      1.4500000E-02 -3.5599999E-02
 C    4.928100     -0.7689000     -1.4000000E-03
 C    6.124600      0.1794000      1.3900000E-02
 C    8.872700      0.5456000      1.2200000E-02
 H   -7.035500      -1.411900      8.2199998E-02
 H   -5.170100       1.743200      -2.181600    
 H   -5.097800       1.848900       2.125200    
 H   -4.841100      -2.168000     -0.8171000    
 H   -4.812100      -2.125200      0.9431000    
 H   -2.964000       1.075900      -1.347400    
 H   -3.725200     -0.2840000      -2.168200    
 H   -3.656300     -0.1799000       2.162300    
 H   -2.906400       1.125400       1.249300    
 H   -6.264600     -0.4992000      -2.110200    
 H   -7.229000      0.6935000      -1.242800    
 H   -7.186500      0.7560000       1.308100    
 H   -6.192700     -0.3935000       2.200300    
 H   -4.325100       2.765100     -6.5399997E-02
 H   -6.081100       2.624800     -3.2800000E-02
 H   -2.317200      -1.963600     -0.8726000    
 H   -2.303500      -1.936100      0.8944000    
 H   -1.236900      0.1917000     -0.8481000    
 H   0.1116000      -1.741800      0.9002000    
 H   9.1499999E-02  -1.805500     -0.8721000    
 H    1.167200      0.5143000      0.8090000    
 H    1.162500      0.4509000     -0.9634000    
 H    2.532100      -1.521400     -0.8339000    
 H    3.570000      0.6748000      0.8390000    
 H    3.591700      0.6442000     -0.9336000    
 H    4.983300      -1.427200     -0.8785000    
 H    4.947200      -1.409200      0.8902000    
 H    6.076900      0.8260000      0.8967000    
 H    6.105100      0.8121000     -0.8800000    
 H    10.39940     -0.8690000      5.5300001E-02
 H    10.94380      0.7750000      8.1000002E-03
 H    9.329800       2.382200     -4.1700002E-02


%chk=000064547-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064547

0 1
S 7.912380 -0.145987 1.281564
N -1.065545 -0.199518 -0.263442
N 2.679290 -0.352628 0.236964
N 9.692350 -0.786165 -0.623674
N 7.789626 0.534396 -1.380696
C -3.583918 -0.481837 -0.191541
C -6.095357 -0.967299 -0.108803
C -5.256187 1.125003 -1.269636
C -5.131978 0.939445 1.258675
C -4.678846 -1.589987 -0.226836
C -3.839496 0.496717 -1.377866
C -3.720025 0.305445 1.144047
C -6.328573 0.002249 -1.298780
C -6.206357 -0.181916 1.227036
C -5.364524 1.908617 0.067465
C -2.192656 -1.156051 -0.302051
C 0.266351 -0.812451 -0.090111
C 1.345174 0.267974 0.110759
C 3.775429 0.578420 0.580343
C 5.108870 -0.186550 0.725905
C 6.263327 0.757384 1.091221
C 8.490531 -0.097040 -0.480549
H -6.855192 -1.773963 -0.131928
H -5.417889 1.816423 -2.120858
H -5.207492 1.499603 2.212109
H -4.598493 -2.167796 -1.171586
H -4.510299 -2.303485 0.606627
H -3.083274 1.308576 -1.371044
H -3.737225 -0.047634 -2.340501
H -3.545420 -0.385129 1.995371
H -2.931046 1.079269 1.192515
H -6.273092 -0.551931 -2.257880
H -7.342786 0.445747 -1.234866
H -7.220267 0.256273 1.325642
H -6.061445 -0.870089 2.084422
H -4.613814 2.724267 0.091251
H -6.365014 2.379653 0.150051
H -2.182472 -1.797975 -1.222471
H -2.068549 -1.842837 0.560283
H -1.080233 0.439888 -1.069986
H 0.245168 -1.457605 0.807294
H 0.562970 -1.471546 -0.949444
H 1.122280 0.819865 1.042714
H 1.283940 1.014637 -0.725390
H 2.915257 -0.914486 -0.593940
H 3.517366 1.064201 1.543326
H 3.902210 1.400105 -0.170504
H 5.356399 -0.686018 -0.231021
H 4.985507 -0.974172 1.491650
H 6.106142 1.262776 2.060045
H 6.438531 1.500246 0.294060
H 10.131002 -1.252531 0.168640
H 10.153373 -0.830898 -1.530049
H 8.181092 0.526746 -2.340725


