%chk=000148103.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148103

0 1
 S    2.990300       2.636000      0.6301000    
 O    2.012500       1.518300     -5.4200001E-02
 O   -2.755400      0.8080000     -0.4200000    
 O   -2.563500      -1.069100      0.8670000    
 O    1.079800      -4.473100       1.416900    
 O    2.718900       3.933600      4.5800000E-02
 O    4.334200       2.103200      0.7278000    
 N  -0.8136000     -0.3804000     -0.5099000    
 C    1.179700      0.1293000      -1.810400    
 C  -0.2595000      0.5745000      -1.488800    
 C    1.300900      -1.131700      -1.003100    
 C   0.1405000      -1.386100     -0.2677000    
 C    2.207500       1.182800      -1.416600    
 C    2.388500      -1.992000     -0.9424000    
 C   4.8500001E-02  -2.501600      0.5519000    
 C   -2.079600     -0.2890000      5.1800001E-02
 C   -4.078000       1.003900      9.3599997E-02
 C    2.304400      -3.117000     -0.1221000    
 C    1.143000      -3.368700      0.6206000    
 C   -3.991600       1.164500       1.610700    
 C   -4.638500       2.270400     -0.5498000    
 C   -4.929000     -0.2095000     -0.2784000    
 C    2.259900       2.593900       2.247000    
 H    1.271400     -0.1028000      -2.877900    
 H  -0.3359000       1.592100      -1.089000    
 H  -0.8891000      0.5309000      -2.386200    
 H    2.076000       2.080500      -2.031000    
 H    3.228200      0.8110000      -1.559700    
 H    3.288300      -1.799400      -1.517100    
 H  -0.8386000      -2.722000       1.133600    
 H    3.151900      -3.795600     -6.6600002E-02
 H   -3.163300       1.826300       1.889200    
 H   -4.917300       1.604400       2.001000    
 H   -3.858600      0.2303000       2.162000    
 H   -4.655400       2.176100      -1.641700    
 H   -4.002900       3.134400     -0.3237000    
 H   -5.654500       2.488300     -0.2053000    
 H   -4.747500      -1.098700      0.3303000    
 H   -5.994400      1.8900000E-02 -0.1549000    
 H   -4.766700     -0.4959000      -1.324000    
 H    1.918400      -4.960800       1.346600    
 H    2.355700       1.584600       2.651800    
 H    2.795800       3.303400       2.880800    
 H    1.210000       2.882300       2.168000    


%chk=000148103-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148103

0 1
S 3.254047 2.088411 0.791700
O 1.715846 2.173228 -0.318925
O -2.907050 0.718779 -0.511511
O -2.427254 -0.945598 1.109282
O 1.523099 -3.756371 2.033974
O 3.516744 3.570640 1.369511
O 4.422129 1.301777 -0.020202
N -0.846894 -0.233384 -0.477479
C 1.038380 0.378093 -1.885805
C -0.478597 0.657470 -1.620857
C 1.365716 -0.761460 -0.928678
C 0.241582 -1.066773 -0.112849
C 1.918961 1.632725 -1.675238
C 2.566181 -1.464585 -0.749188
C 0.287819 -2.061913 0.883454
C -2.095172 -0.219800 0.132330
C -4.336725 0.951576 -0.027021
C 2.646651 -2.476457 0.240736
C 1.508945 -2.762906 1.038337
C -4.306641 1.460679 1.427810
C -4.823082 2.042662 -0.996280
C -5.146476 -0.350371 -0.186282
C 2.531502 0.989317 2.160122
H 1.190426 0.068027 -2.939165
H -0.664654 1.707262 -1.342340
H -1.108064 0.415580 -2.494225
H 1.639858 2.442096 -2.376349
H 2.990279 1.384982 -1.827700
H 3.448466 -1.227631 -1.352141
H -0.575557 -2.294843 1.507287
H 3.581611 -3.031678 0.384841
H -3.659840 2.352215 1.511103
H -5.328713 1.747927 1.735542
H -3.936773 0.681803 2.112538
H -4.774591 1.686143 -2.039673
H -4.201034 2.949792 -0.905894
H -5.869599 2.309103 -0.764051
H -4.767887 -1.135155 0.486845
H -6.206716 -0.154275 0.057399
H -5.094867 -0.712911 -1.228393
H 2.395619 -4.222440 2.052756
H 2.355808 0.007094 1.702789
H 3.287077 0.967068 2.958006
H 1.600840 1.482603 2.469885


