%chk=000008604.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008604

0 1
 S    2.372700      0.7956000       1.929200    
 O    1.167100     -7.4500002E-02  -2.218200    
 O    4.926200      -2.409400     -0.4609000    
 O    4.942400     -0.5625000      -1.797000    
 O   -1.422800       1.568700      -1.647400    
 O   -3.633500       1.133100     -0.2192000    
 N    2.804700      0.4671000     -0.6072000    
 N  -4.4199999E-02   1.607800      0.2190000    
 C    2.523900       1.592700      0.2889000    
 C    3.602200     -0.5180000       1.447000    
 C    3.295600     -0.7744000     -4.4199999E-02
 C    1.223400       1.809700     -0.4967000    
 C    1.663800      0.5998000      -1.344700    
 C    5.009600      2.8400000E-02   1.723200    
 C    3.350600      -1.768700       2.291200    
 C    4.464300      -1.203300     -0.8727000    
 C   -1.275500       1.503300     -0.4289000    
 C   -2.437100       1.277400      0.5278000    
 C   -2.604800       2.457200       1.472000    
 C   -4.307400     -5.5300001E-02 -9.0099998E-02
 C   -3.676900      -1.243300     -0.4385000    
 C   -5.612200     -5.5599999E-02  0.3871000    
 C   -4.362200      -2.451100     -0.3078000    
 C   -6.297500      -1.263500      0.5177000    
 C   -5.672500      -2.461200      0.1702000    
 H    3.268700       2.390300      0.2139000    
 H    2.502100      -1.523100     -0.1718000    
 H    1.212200       2.744500      -1.069800    
 H    5.242500      0.9046000       1.107800    
 H    5.127900      0.3165000       2.774600    
 H    5.776000     -0.7271000       1.517300    
 H    3.476400      -1.563300       3.360900    
 H    2.338300      -2.162800       2.143900    
 H    4.052700      -2.568500       2.032700    
 H  -2.9200001E-02   1.510300       1.231200    
 H   -2.214500      0.3835000       1.126300    
 H    5.694700      -2.708400     -0.9921000    
 H   -2.751100       3.387300      0.9107000    
 H   -1.740100       2.591500       2.128400    
 H   -3.493100       2.323100       2.099100    
 H   -2.660300      -1.248600     -0.8211000    
 H   -6.101800      0.8750000      0.6590000    
 H   -3.876500      -3.383400     -0.5804000    
 H   -7.317700      -1.271500      0.8899000    
 H   -6.206300      -3.401600      0.2715000    


%chk=000008604-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008604

0 1
S 2.393576 0.618942 1.886715
O 0.733356 -1.808469 -1.251942
O 5.613439 -2.163183 -0.679798
O 5.105155 -0.259064 -1.919866
O -1.841397 2.171263 -0.625041
O -4.065964 1.264569 1.035080
N 2.493353 -0.241860 -0.640332
N -0.504952 0.641127 0.520537
C 2.037471 0.990511 0.053949
C 3.989050 -0.369340 1.338103
C 3.603220 -1.009103 -0.076543
C 0.571588 0.680456 -0.436642
C 1.170441 -0.702574 -0.896755
C 5.154295 0.639100 1.242633
C 4.266673 -1.464838 2.381927
C 4.815502 -1.056836 -1.011051
C -1.667491 1.396583 0.352530
C -2.683448 1.239704 1.513029
C -2.562813 2.430158 2.476218
C -4.546719 0.183374 0.263711
C -3.767397 -0.919429 -0.161574
C -5.920683 0.263237 -0.068656
C -4.380195 -1.943168 -0.922498
C -6.515505 -0.764205 -0.826570
C -5.749788 -1.876088 -1.256892
H 2.504128 1.935218 -0.253766
H 3.265219 -2.050353 0.082123
H 0.252786 1.325440 -1.274122
H 4.967708 1.421305 0.486962
H 5.300438 1.131292 2.218160
H 6.095559 0.119933 0.977945
H 4.507868 -1.020943 3.363592
H 3.398482 -2.135070 2.505468
H 5.132077 -2.072227 2.058332
H -0.399822 0.032591 1.336492
H -2.497158 0.282095 2.048556
H 6.404602 -2.197215 -1.283491
H -2.767731 3.366267 1.931060
H -1.549492 2.483948 2.912469
H -3.298014 2.324514 3.291128
H -2.698770 -0.992482 0.060558
H -6.493288 1.131913 0.270447
H -3.771956 -2.790172 -1.258798
H -7.578587 -0.696492 -1.083265
H -6.214017 -2.672129 -1.848322


