%chk=000015045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015045

0 1
 S   -2.316200      -1.685300     -0.1508000    
 O   0.3340000     -0.4601000      -1.209800    
 O   -2.092500      -1.970900      -1.554900    
 O   -3.088800      -2.596900      0.6707000    
 N    2.603400     -0.2028000      0.3515000    
 N    1.410600     -0.7236000      0.8210000    
 N  -0.8161000      -1.372200      0.6062000    
 C    5.070900       1.686400     -0.2558000    
 C    5.242400      0.3206000     -0.9168000    
 C    3.652400       2.017100      0.1997000    
 C    5.065900     -0.8254000      7.4800000E-02
 C    2.988800      0.9833000       1.113400    
 C    3.614500      -1.259600      0.3009000    
 C   0.3355000     -0.8113000     -3.3300001E-02
 C   -3.075900     -9.1700003E-02 -6.7699999E-02
 C   -2.885600      0.8031000      -1.106800    
 C   -3.847200      0.2329000       1.035100    
 C   -3.484700       2.061000      -1.040900    
 C   -4.446300       1.490800       1.100800    
 C   -4.265100       2.404900      6.2799998E-02
 H    5.750200       1.763400      0.6026000    
 H    5.390300       2.459500     -0.9657000    
 H    4.567300      0.2115000      -1.773300    
 H    6.264100      0.2722000      -1.314000    
 H    3.020600       2.183700     -0.6830000    
 H    3.683800       2.977200      0.7304000    
 H    5.528600     -0.5629000       1.034400    
 H    5.618400      -1.697800     -0.2971000    
 H    3.617100      0.7403000       1.979200    
 H    2.091200       1.470700       1.520000    
 H    3.339400      -1.944100     -0.5128000    
 H    3.594500      -1.858400       1.222500    
 H    1.354400      -1.028900       1.787500    
 H  -0.7187000      -1.668700       1.585600    
 H   -2.278800      0.5581000      -1.972800    
 H   -3.993800     -0.4626000       1.855800    
 H   -3.342500       2.773300      -1.848300    
 H   -5.052600       1.759500       1.960900    
 H   -4.730900       3.384600      0.1144000    


%chk=000015045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015045

0 1
S -2.085347 -1.648264 0.286272
O 0.702757 -0.306184 -0.304955
O -1.706646 -2.456844 -1.060815
O -3.104373 -2.274973 1.390610
N 3.075733 -0.856987 1.275911
N 1.764213 -1.259325 1.579683
N -0.567879 -1.394114 1.331700
C 3.978259 1.956060 -0.267714
C 4.004657 0.789005 -1.284795
C 3.081406 1.716543 0.967851
C 4.622823 -0.525300 -0.738166
C 3.480585 0.468785 1.800712
C 3.641914 -1.441024 0.026137
C 0.647827 -0.943542 0.787508
C -2.661859 0.098264 -0.148030
C -2.068826 0.752178 -1.238374
C -3.705362 0.621925 0.631131
C -2.568157 2.034954 -1.562713
C -4.184974 1.907077 0.286596
C -3.616904 2.607480 -0.803819
H 5.016737 2.159746 0.071889
H 3.633857 2.873447 -0.786222
H 2.973830 0.582263 -1.632682
H 4.589179 1.113956 -2.168641
H 2.027089 1.615327 0.651498
H 3.143201 2.604042 1.631703
H 5.510766 -0.298514 -0.113685
H 4.996765 -1.132961 -1.586560
H 4.580007 0.454221 1.939596
H 3.037424 0.542847 2.811840
H 2.805819 -1.683379 -0.657610
H 4.160529 -2.392290 0.272501
H 1.657393 -1.915761 2.358119
H -0.653534 -1.905475 2.218713
H -1.246720 0.289396 -1.790105
H -4.130559 0.040050 1.455108
H -2.133165 2.583824 -2.404004
H -5.000345 2.352828 0.865390
H -3.995519 3.601618 -1.065180


