%chk=000077724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077724

0 1
 S    3.303600       1.048700     -6.4000003E-02
 O   0.7462000       2.055900     -4.9800001E-02
 O   -1.959700      -2.549700      2.6500000E-02
 O    3.137500       1.722400       1.413300    
 O    4.671000      0.5704000     -0.1681000    
 O    2.751800       1.961800      -1.048300    
 N   -4.254100      -1.306000      3.9500002E-02
 C   0.8505000     -0.3191000     -2.5599999E-02
 C   0.1218000      -1.510200     -5.7000001E-03
 C   -2.050000     -0.1814000      3.8000001E-03
 C   -1.321400       1.009700     -1.6300000E-02
 C    2.250000     -0.3567000     -3.9400000E-02
 C   0.1556000      0.9843000     -3.1900000E-02
 C   -1.355000      -1.485000      1.0300000E-02
 C   -3.449400     -0.1437000      1.8300001E-02
 C   0.7928000      -2.739100     -1.9999999E-04
 C    2.914500      -1.583500     -3.3399999E-02
 C   -1.992200       2.238500     -2.1700000E-02
 C    2.187500      -2.772100     -1.3800000E-02
 C   -4.113900       1.083000      1.3100000E-02
 C   -3.386900       2.271600     -6.6000000E-03
 H   0.2513000      -3.681100      1.5500000E-02
 H    3.996600      -1.668700     -3.9200000E-02
 H   -1.451600       3.181100     -3.7099998E-02
 H    2.706600      -3.726300     -8.2000000E-03
 H   -5.200200       1.129900      2.4400000E-02
 H   -3.906500       3.225400     -1.0600000E-02
 H   -3.835900      -2.225300      4.2700000E-02
 H   -5.262200      -1.221000      4.8200000E-02
 H    3.413200       1.154800       2.171000    


%chk=000077724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077724

0 1
S 3.437846 1.055261 -0.105746
O 0.752373 2.065372 0.277357
O -2.064383 -2.659778 -0.014056
O 3.265089 1.772543 1.594634
O 4.925126 0.386714 -0.087676
O 3.119249 2.092110 -1.292008
N -4.332165 -1.337528 -0.073333
C 0.806308 -0.321532 0.039201
C 0.057549 -1.537273 0.018851
C -2.137389 -0.243187 0.009217
C -1.397102 0.985908 0.060611
C 2.214599 -0.434076 0.008672
C 0.094050 0.992259 0.127494
C -1.441429 -1.528283 0.009417
C -3.582930 -0.187940 -0.035743
C 0.721456 -2.788894 -0.000225
C 2.890647 -1.662197 -0.011157
C -2.055624 2.228975 0.061190
C 2.125359 -2.853638 -0.007435
C -4.225308 1.094642 -0.039926
C -3.472706 2.273597 0.007271
H 0.104651 -3.692011 -0.010749
H 3.985294 -1.677086 -0.034856
H -1.453992 3.140937 0.104022
H 2.636321 -3.821219 -0.017873
H -5.320178 1.138256 -0.078329
H -3.985607 3.241034 0.003238
H -3.819151 -2.233399 -0.063911
H -5.348522 -1.292410 -0.106779
H 4.212071 1.971443 1.865331


