%chk=000040247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040247

1 1
 S   0.4591000      -1.145100      5.2400000E-02
 S    6.318600      0.9215000     -0.9420000    
 O   0.3311000       3.490800      0.3762000    
 O   -2.773000       2.970900      0.7856000    
 O    3.615800      0.5962000      -2.230400    
 O   -2.333400       2.170300       2.882300    
 O    5.846400       2.396500      -1.452400    
 O    6.502200      6.3100003E-02  -2.096700    
 O    7.355300       1.083200      5.9500001E-02
 O   -8.462100      0.2117000      -1.723500    
 N  -0.5437000       1.310000      0.1779000    
 N    2.486400       1.133900     -0.2774000    
 N   -4.421900     -0.7403000      0.9699000    
 N   -8.035700      -1.983000      -2.233800    
 C   5.7300001E-02  0.4053000     -0.7850000    
 C    1.198600       1.439300     -0.8998000    
 C   0.2889000       2.353100     -2.9999999E-02
 C   -1.615000      0.9895000      0.9483000    
 C   -2.025100     -0.2934000       1.090700    
 C   -1.278200      -1.485100      0.4959000    
 C   -3.251400     -0.7207000       1.861100    
 C    3.604900      0.7313000      -1.008900    
 C    4.813400      0.4703000     -0.1304000    
 C   -2.269200       2.089700       1.672000    
 C    4.948100     -0.9737000      0.2874000    
 C   -4.713300      -1.870100      0.3110000    
 C   -5.159100      0.3719000      0.8474000    
 C    5.544400      -1.294100       1.506900    
 C    4.475900      -1.987900     -0.5459000    
 C   -5.812100      -1.918200     -0.5350000    
 C   -6.269500      0.3821000      1.5200000E-02
 C   -6.595800     -0.7776000     -0.6815000    
 C    5.668700      -2.628600       1.893300    
 C    4.600300      -3.322400     -0.1594000    
 C    5.196700      -3.642700       1.060200    
 C   -7.753700     -0.7976000      -1.560800    
 H  -0.5381000      0.2977000      -1.699600    
 H    1.318700       1.840400      -1.914000    
 H   -1.801300      -1.838700     -0.3986000    
 H   -1.247200      -2.309000       1.216300    
 H    2.578000       1.195800      0.7340000    
 H   -3.135200      -1.716700       2.305300    
 H   -3.481700     -5.9000000E-02   2.702400    
 H    4.745800       1.110300      0.7590000    
 H   -4.068800      -2.726400      0.4693000    
 H   -4.875200       1.238000       1.430100    
 H   -3.221900       3.723000       1.227100    
 H    5.914900     -0.5140000       2.166600    
 H    4.019200      -1.782900      -1.508300    
 H   -5.996500      -2.858200      -1.038500    
 H   -6.860400       1.288600     -6.9799997E-02
 H    5.743100       3.076900     -0.7461000    
 H    6.132900      -2.878100       2.843000    
 H    4.235700      -4.112700     -0.8092000    
 H    5.294100      -4.681800       1.360700    
 H   -8.834600      -2.021300      -2.859200    
 H   -7.510700      -2.845100      -2.162700    


%chk=000040247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040247

1 1
S -0.094941 -1.313640 1.276718
S 5.399559 1.395260 0.550359
O 0.863515 2.812806 -0.022098
O -1.833317 3.192640 -0.903816
O 3.299134 -1.379261 -1.574466
O -3.555244 3.005182 0.628120
O 3.911729 1.524344 1.872195
O 5.065025 2.489125 -0.599912
O 6.788746 1.544092 1.370912
O -8.875491 0.072342 -2.391483
N -0.695898 0.914368 -0.264202
N 2.508290 0.045207 0.094141
N -5.139879 0.079687 0.944224
N -9.237617 -2.005253 -1.402351
C -0.026495 -0.405808 -0.375677
C 1.327804 0.343820 -0.673815
C 0.569698 1.651070 -0.298314
C -1.944811 1.158499 0.322900
C -2.589076 0.175999 1.065202
C -1.996027 -1.212013 1.268547
C -3.911666 0.427131 1.781893
C 3.475475 -0.782509 -0.464893
C 4.709050 -0.923349 0.393029
C -2.530891 2.524610 0.072281
C 5.890486 -1.668141 0.035403
C -5.489466 -1.236967 0.761634
C -5.879166 1.090161 0.365663
C 6.863003 -1.907623 1.066877
C 6.159849 -2.128370 -1.298616
C -6.603426 -1.583574 -0.012489
C -6.991857 0.783662 -0.426533
C -7.381724 -0.564652 -0.620969
C 8.050611 -2.596829 0.779701
C 7.350311 -2.820032 -1.571228
C 8.296930 -3.055836 -0.539755
C -8.567023 -0.812156 -1.541544
H -0.425653 -1.051608 -1.171104
H 1.558172 0.271443 -1.754087
H -2.341196 -1.916894 0.486686
H -2.297556 -1.620685 2.248968
H 2.786102 0.653585 0.910260
H -3.968676 -0.203011 2.685993
H -4.021354 1.481832 2.068966
H 4.517754 -0.795628 1.468813
H -4.863596 -1.984180 1.253278
H -5.527188 2.108144 0.547938
H -2.172206 4.120873 -1.026719
H 6.674668 -1.537949 2.081256
H 5.416975 -1.952533 -2.080321
H -6.829693 -2.644817 -0.145023
H -7.561906 1.579736 -0.913188
H 3.806394 2.478667 2.140209
H 8.788768 -2.772406 1.567958
H 7.552139 -3.177606 -2.585777
H 9.225661 -3.591467 -0.764754
H -10.023861 -2.183287 -2.030446
H -9.068247 -2.669298 -0.648444


