%chk=000052198.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052198

0 1
 S   -2.155500     -0.6746000      0.3567000    
 O  -6.9300003E-02  -1.249100      -2.067500    
 O   7.6399997E-02   1.362600       1.832200    
 O    3.473100      -1.556200      0.8332000    
 N    1.746300      -1.328300     -0.6674000    
 N    1.818700     -2.4100000E-02   1.281000    
 C   0.1696000      0.5384000     -0.4464000    
 C   0.8310000       1.681800      -1.236600    
 C   -1.356400      0.7019000     -0.4989000    
 C   0.5665000     -0.7657000      -1.131000    
 C   0.6458000      0.6597000      0.9977000    
 C   0.5203000       3.022600     -0.6103000    
 C    2.428300     -0.9962000      0.4970000    
 C   -3.878500     -0.1825000      0.1116000    
 C   -4.816200      -1.190300      0.7487000    
 H   0.4858000       1.675800      -2.278500    
 H    1.920400       1.552500      -1.274200    
 H   -1.713200      0.7259000      -1.534900    
 H   -1.698600       1.613800     -2.6000000E-03
 H  -0.5465000       3.250600     -0.5623000    
 H   0.9640000       3.149700      0.3804000    
 H   0.9652000       3.807800      -1.234100    
 H    2.108900      -2.119500      -1.191900    
 H    2.234600      0.1461000       2.192400    
 H   -4.041100      0.8028000      0.5593000    
 H   -4.086500     -0.1152000     -0.9608000    
 H   -4.697400      -2.185700      0.3071000    
 H   -4.651500      -1.266400       1.828900    
 H   -5.855600     -0.8821000      0.5939000    


%chk=000052198-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052198

0 1
S -2.336254 -0.870893 -0.779604
O 0.714546 -0.883002 -2.601791
O -0.667560 1.264777 1.509302
O 2.643727 -1.986199 1.480979
N 1.686410 -1.369744 -0.561486
N 1.051187 -0.275256 1.434628
C 0.116394 0.587918 -0.725392
C 0.968810 1.850960 -1.182093
C -1.332023 0.669647 -1.256452
C 0.823614 -0.617573 -1.378395
C 0.096105 0.546968 0.810090
C 0.397430 3.223036 -0.773243
C 1.854104 -1.259795 0.829612
C -3.531750 -0.113722 0.499341
C -4.331138 -1.245050 1.159674
H 1.046665 1.785219 -2.284027
H 1.995945 1.740423 -0.780487
H -1.323532 0.729421 -2.355308
H -1.846395 1.542097 -0.827974
H -0.568455 3.429777 -1.266006
H 0.245451 3.302260 0.316340
H 1.102903 4.015804 -1.081522
H 2.217142 -2.121430 -1.013996
H 1.104026 -0.231281 2.457764
H -2.925271 0.445210 1.230570
H -4.194217 0.584464 -0.040640
H -4.906438 -1.823622 0.414766
H -3.665717 -1.941943 1.699318
H -5.047109 -0.822371 1.888730


