%chk=000104392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104392

0 1
 S   -1.236100      -2.158800     -0.6518000    
 O   -1.197500      -3.565700     -0.2990000    
 O   -1.431400      -1.767900      -2.034700    
 O    1.769100       1.929000      -1.846700    
 O    3.524600       1.928400     -0.5216000    
 N   -2.382800      -1.359300      0.3550000    
 N    2.444300       1.431900     -0.9160000    
 N    3.896000      0.1983000       1.218800    
 C   0.2890000      -1.449900     -0.1004000    
 C   0.7606000     -0.3034000     -0.7137000    
 C   0.9792000      -2.058600      0.9322000    
 C    1.963400      0.2535000     -0.2792000    
 C   -2.377200      6.7500003E-02  0.4055000    
 C    2.674000     -0.3456000      0.7609000    
 C    2.181900      -1.501500       1.366600    
 C   -2.592200      0.8076000     -0.7573000    
 C   -2.157600      0.7216000       1.617800    
 C   -2.587200       2.201600     -0.7078000    
 C   -2.152700       2.115600       1.667300    
 C   -2.367500       2.855500      0.5044000    
 H   0.1985000      0.1441000      -1.527500    
 H   -2.595900      -1.822900       1.247900    
 H   0.6089000      -2.953800       1.422000    
 H    2.724400      -1.977800       2.179400    
 H   -2.794200      0.3249000      -1.708400    
 H   -1.987100      0.1556000       2.529900    
 H   -2.760300       2.778000      -1.611900    
 H   -1.981000       2.624900       2.611000    
 H    4.386200     -0.2597000       1.976600    
 H    4.293600       1.034500      0.8191000    
 H   -2.364600       3.940900      0.5432000    


%chk=000104392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104392

0 1
S -1.214140 -2.171012 -0.643039
O -1.268516 -3.712875 -0.127551
O -1.428083 -1.726386 -2.186485
O 1.912300 1.949691 -1.878860
O 3.778138 1.951944 -0.573657
N -2.635498 -1.300373 0.363165
N 2.632846 1.431633 -0.945390
N 4.123076 0.068722 1.226067
C 0.435712 -1.454882 -0.085595
C 0.921076 -0.307605 -0.706252
C 1.136552 -2.118489 0.951138
C 2.160645 0.222111 -0.271200
C -2.586839 0.119942 0.423029
C 2.919256 -0.410849 0.783276
C 2.362686 -1.601010 1.368398
C -2.791947 0.863793 -0.774010
C -2.386678 0.805051 1.655691
C -2.792276 2.272000 -0.727816
C -2.432456 2.214490 1.694350
C -2.623037 2.953454 0.502840
H 0.387168 0.180086 -1.527306
H -2.605077 -1.779472 1.281919
H 0.728705 -3.038247 1.383834
H 2.929186 -2.107619 2.157503
H -2.955653 0.325145 -1.712279
H -2.215162 0.232553 2.576500
H -2.942102 2.840598 -1.651787
H -2.303318 2.735856 2.649214
H 4.629011 -0.413519 1.965993
H 4.493494 0.915752 0.777789
H -2.640669 4.048018 0.532122


