%chk=000132090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132090

0 1
 S  -0.2938000     -0.9055000      -1.298900    
 O  -0.2898000       5.105500      0.9970000    
 O   -1.759100       4.065400     -0.3913000    
 O   -3.561100      -2.216900      0.3358000    
 O   -1.152100      -1.265400       1.175900    
 N    3.315800     -0.6983000      0.2834000    
 N   -2.543400      -1.874900     -0.5724000    
 N    4.924600      -2.299800     -0.5026000    
 N    4.620700      -1.954300       1.729800    
 C   0.5882000      0.4634000     -0.4547000    
 C  -0.3480000       1.686700     -0.4523000    
 C    1.943100      0.7597000      -1.128900    
 C   0.2173000       2.875200      0.3249000    
 C    2.963300     -0.3794000      -1.100900    
 C  -0.7233000       4.052000      0.2605000    
 C   -1.397600      -1.378100     -1.8300001E-02
 C    4.232800      -1.598200      0.4597000    
 C   -4.815500      -2.036100     -0.3067000    
 C   -5.921900      -2.400800      0.6600000    
 H   0.7852000      0.1676000      0.5817000    
 H  -0.5496000       1.998000      -1.486800    
 H   -1.318900       1.423900     -1.1600000E-02
 H    2.417300       1.615000     -0.6352000    
 H    1.777500       1.060400      -2.171700    
 H   0.3627000       2.600400       1.374800    
 H    1.166900       3.212900     -9.8300003E-02
 H    3.854300     -4.1700002E-02  -1.645300    
 H    2.570900      -1.262900      -1.615700    
 H   -2.741100      -1.922900      -1.565400    
 H  -0.9055000       5.867300      0.9439000    
 H   -4.925200     -0.9904000     -0.6168000    
 H   -4.876600      -2.680300      -1.191800    
 H    5.626400      -2.985500     -0.2455000    
 H    4.761500      -2.163900      -1.493800    
 H    5.336200      -2.655100       1.889000    
 H    4.200400      -1.523000       2.545900    
 H   -5.819300      -3.440100      0.9894000    
 H   -5.870900      -1.776100       1.557900    
 H   -6.904200      -2.272800      0.1965000    


%chk=000132090-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132090

0 1
S -0.434833 -0.622596 -2.012025
O 0.037883 4.827221 1.631748
O -1.225044 4.629066 -0.304616
O -3.483924 -2.788831 -0.415596
O -1.618630 -0.825995 0.507349
N 3.027383 -0.563973 0.222150
N -2.621623 -1.999313 -1.257843
N 4.536076 -2.451363 -0.011597
N 4.159999 -1.450444 2.080975
C 0.547160 0.620180 -0.923936
C -0.229001 1.947477 -0.807184
C 1.953714 0.755138 -1.539224
C 0.288940 2.784583 0.382221
C 2.853318 -0.462042 -1.240841
C -0.391768 4.133305 0.485130
C -1.655512 -1.185851 -0.693298
C 3.858522 -1.455975 0.709336
C -4.625696 -1.953229 0.092088
C -5.482330 -2.906112 0.920911
H 0.622450 0.122475 0.058886
H -0.148217 2.526738 -1.745912
H -1.301794 1.742809 -0.649454
H 2.436910 1.645878 -1.093329
H 1.886209 0.931355 -2.631150
H 0.134498 2.243753 1.335289
H 1.379623 2.964499 0.318066
H 3.825714 -0.332348 -1.772372
H 2.362041 -1.369000 -1.665319
H -2.539740 -2.371528 -2.207800
H -0.423989 5.708913 1.666142
H -4.206938 -1.132403 0.701203
H -5.172647 -1.536604 -0.775469
H 5.384831 -2.874910 0.355391
H 4.305291 -2.602271 -0.988836
H 4.308707 -2.337985 2.559982
H 3.706432 -0.705748 2.608606
H -5.861609 -3.739178 0.304232
H -4.897586 -3.324795 1.757436
H -6.346621 -2.359896 1.339864


