%chk=000116815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116815

0 1
 S   -4.543800      0.3893000       1.726900    
 N    3.841700      0.1022000     -0.2344000    
 N   -1.738200      3.7799999E-02 -0.7108000    
 N   -2.265500      0.1923000      0.4151000    
 N   -4.291100      4.9300000E-02 -0.8232000    
 C    2.436400      8.0799997E-02 -0.3535000    
 C    4.568000       1.352100     -0.3375000    
 C    4.576400      -1.123700      6.3000000E-03
 C    1.745700      -1.127000     -0.2529000    
 C   0.3559000      -1.147500     -0.3706000    
 C    1.737100       1.268000     -0.5717000    
 C    4.688600       2.000300       1.028400    
 C    4.527700      -1.481100       1.479400    
 C  -0.3432000      3.9799999E-02 -0.5887000    
 C   0.3474000       1.247500     -0.6892000    
 C  -0.3621000      -2.452800     -0.2614000    
 C   -3.665400      0.1905000      0.2921000    
 C   -5.973600      0.2811000      0.7861000    
 C   -5.642100      0.1011000     -0.5404000    
 H    5.584700       1.157500     -0.7038000    
 H    4.157100       2.040300      -1.082900    
 H    4.236900      -1.950800     -0.6269000    
 H    5.630400     -0.9913000     -0.2702000    
 H    2.244500      -2.074600     -8.2300000E-02
 H    2.207600       2.241900     -0.6396000    
 H    3.713600       2.142300       1.505000    
 H    5.311700       1.407800       1.703300    
 H    5.161800       2.983200      0.9328000    
 H    5.038800     -0.7356000       2.093900    
 H    3.508200      -1.578300       1.863000    
 H    5.035700      -2.437300       1.644300    
 H  -0.1890000       2.178300     -0.8558000    
 H   0.3306000      -3.301300     -0.2479000    
 H  -0.9480000      -2.488100      0.6627000    
 H   -1.029400      -2.600100      -1.117300    
 H   -6.955200      0.3510000       1.232500    
 H   -6.354100      1.7000000E-03  -1.348600    


%chk=000116815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116815

0 1
S -4.852055 2.101624 -0.002793
N 3.876910 0.167983 -0.259839
N -1.766383 -0.398871 -0.134705
N -2.491870 0.713303 -0.089459
N -4.629185 -0.577962 -0.092808
C 2.487851 0.051518 -0.204567
C 4.537820 1.490856 -0.164705
C 4.745366 -1.030214 -0.310850
C 1.840779 -1.230100 -0.216500
C 0.443255 -1.368567 -0.197571
C 1.644868 1.218549 -0.151745
C 4.614653 2.063673 1.271005
C 5.000953 -1.695802 1.063106
C -0.376192 -0.187085 -0.155822
C 0.258033 1.094404 -0.133744
C -0.193644 -2.743930 -0.213796
C -3.867109 0.517364 -0.071466
C -6.316770 1.083508 -0.009295
C -5.983414 -0.268235 -0.058467
H 5.559953 1.378615 -0.568880
H 4.019499 2.206816 -0.829989
H 4.305716 -1.765339 -1.010256
H 5.710177 -0.721886 -0.753243
H 2.438154 -2.145574 -0.236859
H 2.083942 2.219159 -0.130401
H 3.609473 2.164250 1.714931
H 5.213349 1.409993 1.928828
H 5.087365 3.063142 1.256323
H 5.533243 -1.010505 1.745617
H 4.053848 -1.990494 1.546710
H 5.620805 -2.602593 0.935920
H -0.383655 1.980585 -0.100047
H 0.573582 -3.537105 -0.243294
H -0.831573 -2.894333 0.674499
H -0.861928 -2.858816 -1.084912
H -7.308352 1.529596 0.022686
H -6.711662 -1.080927 -0.071412


