%chk=000051142.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051142

1 1
 S   -3.386600      -1.690100      -1.006100    
 N   -5.124100      1.5000000E-03  0.3283000    
 C    4.323000     -0.1059000     -0.2498000    
 C    5.718500     -0.6090000      0.1295000    
 C    3.227300      -1.162600     -6.6699997E-02
 C    6.824300      0.4220000     -0.1199000    
 C    1.827900     -0.6543000     -0.4238000    
 C    8.210500     -4.8400000E-02  0.3265000    
 C   0.7338000      -1.710700     -0.2284000    
 C    9.273400       1.016000      4.3900002E-02
 C  -0.6547000      -1.229100     -0.6648000    
 C    10.65310      0.5659000      0.5237000    
 C   -1.751100      -2.277800     -0.4764000    
 C    11.70530       1.634500      0.2747000    
 C   -3.833700     -0.7091000      0.4535000    
 C   -6.243700     -0.6170000      0.7278000    
 C   -5.132000       1.241600     -0.1794000    
 C   -7.468800      2.6200000E-02  0.6233000    
 C   -6.328200       1.933100     -0.3075000    
 C   -7.506700       1.314900      9.9500000E-02
 C   -8.718700     -0.6521000       1.064000    
 C   -6.348800       3.310300     -0.8716000    
 H    4.330200      0.2226000      -1.296400    
 H    4.081200      0.7750000      0.3573000    
 H    5.943800      -1.518300     -0.4414000    
 H    5.720300     -0.8919000       1.189300    
 H    3.463100      -2.036100     -0.6869000    
 H    3.229600      -1.504300      0.9757000    
 H    6.572700       1.349400      0.4097000    
 H    6.849900      0.6658000      -1.189300    
 H    1.825200     -0.3218000      -1.469100    
 H    1.592800      0.2243000      0.1894000    
 H    8.469400     -0.9767000     -0.1967000    
 H    8.190200     -0.2756000       1.399100    
 H   0.9951000      -2.609800     -0.8001000    
 H   0.7006000      -2.004100      0.8279000    
 H    8.998200       1.951000      0.5473000    
 H    9.307600       1.226300      -1.032000    
 H  -0.8987000     -0.3249000     -9.4499998E-02
 H  -0.6086000     -0.9354000      -1.721300    
 H    10.94460     -0.3555000      6.3000000E-03
 H    10.61950      0.3394000       1.595700    
 H   -1.802700      -2.607600      0.5666000    
 H   -1.512100      -3.160600      -1.079300    
 H    11.78650       1.863800     -0.7927000    
 H    12.68410       1.291400      0.6239000    
 H    11.45960       2.558900      0.8072000    
 H   -3.896700      -1.359100       1.333500    
 H   -3.067200      4.5600001E-02  0.6584000    
 H   -6.139700      -1.621500       1.120900    
 H   -4.177500       1.659200     -0.4778000    
 H   -8.455600       1.838000      7.8999996E-03
 H   -9.215600      -1.118900      0.2078000    
 H   -8.510000      -1.427000       1.809600    
 H   -9.408600      6.1600000E-02   1.526900    
 H   -6.363600       4.048100     -6.3299999E-02
 H   -5.469600       3.498800      -1.497200    
 H   -7.230900       3.460200      -1.503400    


%chk=000051142-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051142

1 1
S -3.368526 -0.845586 -1.587754
N -5.265785 0.641524 -0.172493
C 4.523760 0.009686 -0.310372
C 5.816873 -0.561479 0.313786
C 3.266856 -0.828103 0.016322
C 7.075863 0.267124 -0.027524
C 1.978406 -0.260403 -0.620665
C 8.371722 -0.306538 0.588773
C 0.725901 -1.115251 -0.316480
C 9.631813 0.516726 0.238535
C -0.554143 -0.543609 -0.976807
C 10.928683 -0.058178 0.852720
C -1.778112 -1.426529 -0.698020
C 12.182614 0.768502 0.495023
C -3.801986 0.644137 -0.517967
C -5.760504 -0.366511 0.620217
C -6.084990 1.622925 -0.675624
C -7.123690 -0.413698 0.965002
C -7.464953 1.635500 -0.387272
C -7.967788 0.603940 0.445541
C -7.657532 -1.516851 1.849165
C -8.359107 2.713336 -0.956086
H 4.646839 0.070573 -1.411950
H 4.375577 1.051244 0.044155
H 5.961817 -1.605602 -0.034304
H 5.701426 -0.614730 1.416681
H 3.421845 -1.869409 -0.335119
H 3.141008 -0.886106 1.117702
H 6.935279 1.311221 0.322821
H 7.189656 0.322534 -1.130518
H 2.114987 -0.190850 -1.719612
H 1.816930 0.776423 -0.258780
H 8.510644 -1.352210 0.242484
H 8.262821 -0.356978 1.692566
H 0.895995 -2.149866 -0.678733
H 0.586326 -1.184784 0.782312
H 9.496736 1.562815 0.585292
H 9.742535 0.567640 -0.865049
H -0.728404 0.486754 -0.603293
H -0.402144 -0.463452 -2.070106
H 11.062886 -1.103681 0.507265
H 10.818899 -0.107181 1.955474
H -2.007818 -1.503764 0.380688
H -1.638358 -2.448725 -1.092214
H 12.333554 0.806430 -0.600406
H 13.094830 0.337183 0.946274
H 12.087726 1.810124 0.855922
H -3.215697 0.590353 0.413417
H -3.583044 1.584183 -1.043885
H -5.043767 -1.125864 0.938820
H -5.613685 2.380549 -1.305291
H -9.036379 0.587679 0.689736
H -8.457409 -2.079628 1.335522
H -6.872222 -2.233821 2.137371
H -8.095181 -1.102637 2.775335
H -8.866938 3.271207 -0.149110
H -7.798070 3.438436 -1.567160
H -9.147476 2.273479 -1.593027


