%chk=000078594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078594

0 1
 S   0.7890000      0.2376000      -1.764700    
 O    5.571000      0.2813000      0.3009000    
 O   -5.151300       1.095000       1.243900    
 O   -3.881000      -2.232700      0.5717000    
 N   4.0399998E-02  2.7300000E-02  0.6945000    
 N   -2.513900     -2.7200000E-02  1.9500000E-02
 N   -1.699600      7.5300001E-02 -0.9221000    
 C    2.021900      0.1995000     -0.5598000    
 C    1.426500      8.3600000E-02  0.7000000    
 C   -3.895300     -4.8300002E-02 -0.4614000    
 C    4.215200      0.2173000      0.4267000    
 C    3.415500      0.2677000     -0.7179000    
 C    2.257800      3.5000000E-02   1.840300    
 C    3.646000      0.1025000       1.690200    
 C  -0.3928000      0.1004000     -0.5393000    
 C   -4.578500       1.152500      0.1558000    
 C   -4.499500      -1.383000     -6.8899997E-02
 C    6.135400     -0.2464000     -0.8976000    
 C   -4.509400       2.445600     -0.6163000    
 C   -5.926400      -1.624800     -0.4932000    
 C    7.529200     -0.7583000     -0.6024000    
 H   -3.962500      2.3900000E-02  -1.555100    
 H    3.828300      0.3858000      -1.714500    
 H    1.823600     -5.4800000E-02   2.832000    
 H    4.278700      6.4000003E-02   2.573300    
 H    5.552700      -1.090400      -1.287500    
 H    6.184900      0.5461000      -1.652400    
 H   -4.985100       2.315600      -1.591500    
 H   -5.038600       3.230300     -6.8499997E-02
 H   -3.466000       2.744600     -0.7415000    
 H   -6.195900      -2.665900     -0.2937000    
 H   -6.599900     -0.9717000      6.5899998E-02
 H   -6.027400      -1.441800      -1.566000    
 H    7.997500      -1.161800      -1.504600    
 H    8.159300      4.5200001E-02 -0.2071000    
 H    7.498500      -1.542900      0.1609000    


%chk=000078594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078594

0 1
S 0.555882 -0.624148 -1.843455
O 5.506211 -0.144979 0.166137
O -5.819056 2.165419 -1.206993
O -5.429049 -0.785836 1.106807
N -0.039648 0.595547 0.501966
N -2.825545 0.562503 -0.139199
N -1.959004 0.056106 -0.983790
C 1.881960 -0.198832 -0.703011
C 1.343249 0.439430 0.472927
C -4.215143 0.447846 -0.669474
C 4.120383 0.005175 0.179235
C 3.262485 -0.422544 -0.864206
C 2.232941 0.856648 1.502476
C 3.604127 0.640320 1.353494
C -0.615700 0.114308 -0.588509
C -5.034196 1.717281 -0.332794
C -4.840002 -0.832809 0.004080
C 6.133499 -0.794319 -1.008401
C -4.860015 2.313345 1.040165
C -4.633699 -2.102175 -0.796617
C 7.636564 -0.815507 -0.750646
H -4.220958 0.283360 -1.764293
H 3.651042 -0.907618 -1.762148
H 1.823813 1.339925 2.393846
H 4.317385 0.947321 2.123373
H 5.725462 -1.819905 -1.115813
H 5.886336 -0.212309 -1.919437
H -3.785729 2.466201 1.248633
H -5.424217 3.253673 1.128201
H -5.216691 1.578699 1.788424
H -4.849762 -2.987386 -0.179220
H -5.314309 -2.095310 -1.670336
H -3.603286 -2.145593 -1.194881
H 8.157923 -1.291646 -1.600614
H 8.026779 0.209269 -0.631263
H 7.868270 -1.385361 0.164933


