%chk=000146356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146356

0 1
 S  -0.8768000     -0.4447000      -1.669500    
 S    4.165900     -0.5709000      -1.992200    
 O   -2.889000       1.875800       1.820500    
 O    1.154900       3.237900     -0.9600000    
 O   -4.077100      -1.318800       1.946400    
 O   -5.752000     -0.2737000      0.7674000    
 N   -2.795300      0.5405000     -0.1209000    
 N   1.0200000E-02   1.696900      0.3403000    
 N    3.314600       3.052000      0.7526000    
 C   -1.924600      0.9533000      -1.206600    
 C   -1.318900       1.964200     -0.2085000    
 C   -2.478800       1.536200      0.7353000    
 C   -3.598000     -0.5535000     -0.1713000    
 C   -2.294100      -1.496500      -2.134000    
 C   -3.434600      -1.507500      -1.118600    
 C    1.155800       2.368700     -8.9699998E-02
 C    2.421700       1.897400      0.6178000    
 C   -4.334200      -2.707900      -1.290400    
 C   -4.609800     -0.6877000      0.8872000    
 C    3.067600      0.7534000     -0.1359000    
 C    3.282400     -0.5263000      0.4373000    
 C    3.484700      0.8838000      -1.422000    
 C    3.893100      -1.374800     -0.4914000    
 C    2.990900      -1.040900       1.723800    
 C    4.215900      -2.707900     -0.1702000    
 C    3.309700      -2.362900       2.045500    
 C    3.915800      -3.185800       1.107000    
 H   -2.468200       1.420200      -2.036500    
 H   -1.427300       3.007600     -0.5302000    
 H   0.1215000      0.9789000       1.052600    
 H   -1.896100      -2.509700      -2.254100    
 H   -2.676400      -1.170000      -3.107300    
 H    2.148900       1.590800       1.632800    
 H   -5.189300      -2.704900     -0.6089000    
 H   -3.772100      -3.630300      -1.111300    
 H   -4.732400      -2.735400      -2.310300    
 H    4.142000       2.780300       1.283100    
 H    2.854800       3.775600       1.304800    
 H    3.433400       1.748800      -2.068600    
 H    2.516200     -0.4219000       2.480300    
 H   -4.724000      -1.430300       2.675300    
 H    4.690200      -3.359500     -0.8986000    
 H    3.080800      -2.746300       3.035900    
 H    4.159900      -4.212500       1.366400    


%chk=000146356-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146356

0 1
S -0.914424 -0.351633 -1.997234
S 4.386019 -0.835058 -1.812072
O -1.700395 0.289221 2.379648
O 0.831708 3.735457 0.134065
O -4.905797 -2.367972 1.212311
O -4.834676 -0.129178 1.820053
N -2.618390 0.216321 0.112212
N 0.455104 1.442553 0.218889
N 3.506611 3.423587 -0.198176
C -1.837332 0.911636 -0.927442
C -0.981260 1.573101 0.219762
C -1.777504 0.625966 1.189825
C -3.511339 -0.865554 -0.085839
C -2.516107 -1.291185 -2.399032
C -3.497260 -1.575678 -1.267048
C 1.280220 2.553291 0.219009
C 2.804259 2.287525 0.407742
C -4.478908 -2.671935 -1.629547
C -4.464261 -1.045143 1.052792
C 3.285368 0.955542 -0.157303
C 3.193034 -0.325243 0.543160
C 3.887219 0.845795 -1.392228
C 3.740880 -1.410614 -0.215476
C 2.650255 -0.608556 1.830585
C 3.758972 -2.733936 0.267230
C 2.664861 -1.928235 2.319393
C 3.214254 -2.986433 1.544674
H -2.424223 1.578477 -1.576165
H -1.223558 2.641975 0.348834
H 0.870931 0.506833 0.238987
H -2.173204 -2.249426 -2.829027
H -3.032449 -0.738011 -3.206649
H 2.928505 2.237214 1.521780
H -5.380159 -2.665589 -1.002296
H -4.002762 -3.664511 -1.506545
H -4.773950 -2.582377 -2.692880
H 4.472162 3.539916 0.116512
H 2.945961 4.283036 -0.174348
H 4.085023 1.661856 -2.084538
H 2.222139 0.193319 2.443257
H -5.515406 -2.395924 1.999631
H 4.183325 -3.548153 -0.329106
H 2.243788 -2.143064 3.307094
H 3.214667 -4.007512 1.940806


