%chk=000060315.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060315

0 1
 S  -0.8631000      -1.157000      -1.284300    
 O   -1.076800      -2.579200      -1.055700    
 O  -0.7477000     -0.6526000      -2.646600    
 O    3.206700       1.869300     -0.8612000    
 O    4.218600      0.4116000       1.277300    
 N   0.4649000      -2.571700       1.067800    
 N   -5.309800       1.671200       1.469400    
 C   0.6607000     -0.7063000     -0.4983000    
 C   -2.169400     -0.3270000     -0.4765000    
 C    1.149600      -1.442900      0.5662000    
 C    1.336500      0.3998000     -0.9850000    
 C    2.538400      0.7804000     -0.3881000    
 C    2.351400      -1.062400       1.163100    
 C    3.045900      4.9400002E-02  0.6860000    
 C   -2.572600      0.9337000     -0.9167000    
 C   -2.809200     -0.9239000      0.6098000    
 C   -3.615600       1.597400     -0.2707000    
 C   -3.852200     -0.2601000       1.255700    
 C   -4.255500       1.000500      0.8155000    
 C    2.885200       3.130500     -0.2782000    
 C    5.413900     -0.1608000      0.7505000    
 H   0.9517000      0.9877000      -1.813300    
 H    2.752400      -1.627300       2.001700    
 H   -2.084000       1.419700      -1.756500    
 H   -2.515000      -1.903100      0.9751000    
 H   -3.919600       2.580100     -0.6221000    
 H   -4.342600     -0.7355000       2.101600    
 H  -0.4133000      -2.876300      0.6767000    
 H   0.8556000      -3.081800       1.849500    
 H   -5.603200       2.585000       1.150500    
 H   -5.774200       1.238300       2.256500    
 H    3.101100       3.125400      0.7948000    
 H    1.831800       3.374300     -0.4486000    
 H    3.503000       3.896000     -0.7555000    
 H    5.542900      0.1156000     -0.3007000    
 H    5.394900      -1.250400      0.8533000    
 H    6.261000      0.2296000       1.321000    


%chk=000060315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060315

0 1
S -0.956545 -1.239780 -1.362918
O -1.248345 -2.851939 -1.130637
O -0.872209 -0.597478 -2.865840
O 3.280905 1.777173 -0.892836
O 4.236266 0.258422 1.426383
N 0.413135 -2.719376 1.100607
N -5.411751 1.794903 1.434617
C 0.658849 -0.832534 -0.479289
C -2.308544 -0.295216 -0.464798
C 1.104163 -1.610138 0.632390
C 1.375298 0.261819 -0.991168
C 2.573471 0.662710 -0.376813
C 2.331190 -1.190692 1.228875
C 3.054118 -0.088577 0.741125
C -2.809752 0.869119 -1.073152
C -2.821098 -0.799374 0.744156
C -3.848669 1.569158 -0.435229
C -3.857188 -0.094628 1.381663
C -4.384911 1.101183 0.803604
C 3.235490 2.968585 -0.012570
C 5.470642 0.276302 0.602346
H 1.002984 0.803617 -1.867266
H 2.752890 -1.749498 2.071092
H -2.402570 1.197136 -2.035549
H -2.428641 -1.725966 1.174515
H -4.255619 2.476751 -0.895941
H -4.268760 -0.469518 2.325960
H -0.286925 -3.145586 0.474095
H 0.807774 -3.259939 1.866232
H -5.802406 2.637555 1.023041
H -5.807788 1.461075 2.308570
H 3.674301 2.742933 0.977258
H 2.191274 3.313873 0.110602
H 3.827639 3.740121 -0.528280
H 5.357296 0.948685 -0.265402
H 5.703870 -0.748634 0.257539
H 6.262567 0.634952 1.277017


