%chk=000091225.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091225

0 1
 S    7.116800      -3.634500     -0.3867000    
 S   -6.851200      -3.875200      0.3348000    
 O    1.921000      0.8002000     -0.6681000    
 O   -1.833200      0.6713000      0.1350000    
 O    6.819900      -4.511800      0.9607000    
 O    6.547900      -4.370800      -1.506200    
 O    8.523100      -3.262200     -0.3820000    
 O   -6.532800      -4.353500       1.865500    
 O   -8.284800      -3.635300      0.2549000    
 O   -6.203800      -4.808700     -0.5737000    
 N    4.000100       1.365800      0.2916000    
 N    4.440800       2.522500      0.8835000    
 N   -4.083700       1.334700     -0.2783000    
 N   -4.750200       2.518900     -0.5847000    
 C    2.344200       2.996800      0.2472000    
 C    3.458100       3.478600      0.8223000    
 C    2.684000       1.580300     -0.1216000    
 C    4.725600      0.2022000      0.1337000    
 C   -2.510100       2.932300     -0.3727000    
 C    1.091400       3.616600     -3.1500001E-02
 C    3.726900       4.849000       1.337800    
 C    4.153500     -0.9145000     -0.4926000    
 C    6.046800      0.1176000      0.5971000    
 C   -4.730500      0.1172000     -0.1347000    
 C   -3.847500       3.458800     -0.6449000    
 C   -2.694300       1.488400     -0.1279000    
 C    6.199700      -2.162500     -0.1870000    
 C   -1.345800       3.590700     -0.3439000    
 C  -8.0100000E-02   2.954000     -6.0500000E-02
 C    4.886500      -2.090600     -0.6520000    
 C    6.779900      -1.058400      0.4375000    
 C   -4.068500      -1.075600     -0.4465000    
 C   -6.052200      6.8499997E-02  0.3233000    
 C   -6.036700      -2.341500      0.1547000    
 C   -4.138300       4.888300     -0.9490000    
 C   -4.719400      -2.301000     -0.3024000    
 C   -6.703200      -1.156700      0.4674000    
 H    5.418900       2.774600      0.9235000    
 H    1.103100       4.692700     -0.1869000    
 H    4.555700       5.307100      0.7883000    
 H    3.997600       4.809500       2.398100    
 H    2.858200       5.506900       1.242400    
 H    3.146100     -0.9475000     -0.8822000    
 H    6.531900      0.9531000       1.094000    
 H   -1.328500       4.659300     -0.5420000    
 H  -5.7200000E-02   1.899300      0.1615000    
 H    4.413400      -2.941000      -1.135100    
 H    7.797700      -1.094000      0.8155000    
 H   -3.059200      -1.092700     -0.8456000    
 H   -6.589700      0.9777000      0.5812000    
 H   -3.833300       5.514600     -0.1064000    
 H   -5.209300       5.025200      -1.122400    
 H   -3.592900       5.193900      -1.845900    
 H   -4.181000      -3.210400     -0.5539000    
 H   -7.726100      -1.164800      0.8330000    
 H    5.877800      -4.768100       1.099300    
 H   -6.869600      -3.755800       2.573900    


%chk=000091225-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091225

0 1
S 8.005986 -3.427534 -0.015569
S -7.957436 -3.588850 -0.286929
O 2.060814 0.347728 -0.140583
O -2.051770 0.282598 -0.081477
O 7.561622 -4.046035 1.678785
O 7.534377 -4.531709 -1.100193
O 9.531785 -2.889381 0.008001
O -8.100403 -3.886008 1.548556
O -9.414882 -3.141776 -0.834201
O -7.192438 -4.855688 -0.943740
N 4.250769 1.323520 -0.088629
N 4.737553 2.638091 0.055036
N -4.273319 1.202415 0.037444
N -4.868262 2.499447 0.154024
C 2.470172 2.804372 0.049597
C 3.676807 3.525684 0.079942
C 2.796260 1.369009 -0.074654
C 5.119618 0.208100 -0.033869
C -2.557480 2.725153 0.130064
C 1.145712 3.361807 0.123731
C 3.925302 5.003887 0.136391
C 4.640367 -1.068230 -0.445586
C 6.463166 0.367672 0.407201
C -5.121381 0.071917 -0.036166
C -3.860591 3.379210 0.207398
C -2.844540 1.265406 0.015173
C 6.834916 -1.977595 -0.002406
C -1.305882 3.324614 0.158222
C -0.042810 2.645298 0.079269
C 5.508750 -2.174342 -0.422927
C 7.334856 -0.737145 0.421026
C -4.573585 -1.238271 -0.149221
C -6.531514 0.264422 -0.001695
C -6.820815 -2.122876 -0.175800
C -4.138691 4.849128 0.332498
C -5.435223 -2.348898 -0.214822
C -7.393386 -0.843717 -0.068773
H 5.673571 2.853375 -0.295307
H 1.086458 4.457245 0.224352
H 4.998686 5.243228 0.043073
H 3.572816 5.425238 1.095416
H 3.386092 5.525920 -0.673188
H 3.600125 -1.179256 -0.757018
H 6.824295 1.327810 0.788474
H -1.278373 4.422675 0.248985
H -0.032182 1.553553 -0.015228
H 5.164749 -3.161006 -0.747527
H 8.373944 -0.638894 0.749723
H -3.490572 -1.370925 -0.180270
H -6.926048 1.278543 0.080331
H -3.688401 5.266247 1.252626
H -5.226286 5.020618 0.369145
H -3.725428 5.410585 -0.526213
H -5.037872 -3.363992 -0.309853
H -8.480175 -0.717663 -0.054545
H 8.040763 -4.914348 1.819854
H -8.697091 -4.680875 1.672455


