%chk=000133936.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133936

1 1
 S    2.719600      -2.637500     -0.6329000    
 O  -0.3071000     -0.7843000      -1.400700    
 N    3.412800     -0.3485000      0.2628000    
 N    1.296800     -0.7136000      0.7686000    
 C    1.571900      0.6489000       1.306300    
 C    3.096600      0.8347000       1.045900    
 C    2.391100      -1.172800      0.1906000    
 C    4.682200     -0.8110000     -0.2671000    
 C    4.341300      -1.981200      -1.203200    
 C   0.7165000       1.676900      0.6051000    
 C   1.4900000E-02  -1.395300      0.8974000    
 C  -0.5005000       2.070700       1.162700    
 C    1.141800       2.234000     -0.6015000    
 C  -0.8153000      -1.057100     -0.3156000    
 C   -1.291000       3.020100      0.5149000    
 C   0.3515000       3.183400      -1.249400    
 C   -2.301700      -1.057200     -0.1847000    
 C  -0.8650000       3.576300     -0.6911000    
 C   -2.883600      -1.908100      0.7270000    
 C   -3.033600     -0.2063000     -0.9811000    
 C   -4.273100      -1.908300      0.8491000    
 C   -4.423200     -0.2064000     -0.8591000    
 C   -5.042900      -1.057400      5.6000002E-02
 H    1.382600      0.6549000       2.386400    
 H    3.411500       1.749700      0.5406000    
 H    3.643000      0.7671000       1.993600    
 H    5.312400      -1.143500      0.5645000    
 H    5.191800     -4.4999998E-03 -0.8024000    
 H    4.213100      -1.619600      -2.228200    
 H    5.112900      -2.755200      -1.192900    
 H   0.1647000      -2.477200      0.9554000    
 H  -0.4678000      -1.050500       1.816600    
 H  -0.8448000       1.643600       2.100800    
 H    2.059100       1.925100      -1.092600    
 H   -2.239200       3.324100      0.9483000    
 H   0.6776000       3.609000      -2.193900    
 H   -1.482000       4.312900      -1.197300    
 H   -2.307900      -2.590200       1.344000    
 H   -2.563700      0.4649000      -1.693300    
 H   -4.756200      -2.573300       1.559000    
 H   -5.022500      0.4572000      -1.475500    
 H   -6.124900      -1.057800      0.1507000    


%chk=000133936-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133936

1 1
S 2.314483 -2.870518 -0.269706
O -0.057738 -0.700522 -1.445380
N 3.363396 -0.457203 0.086267
N 1.270750 -0.489096 0.916982
C 1.811339 0.893554 1.317038
C 3.204837 0.934699 0.579266
C 2.230381 -1.172467 0.271724
C 4.534758 -1.171751 -0.454318
C 3.967538 -2.427861 -1.166706
C 0.878965 2.045581 0.991781
C -0.138335 -0.870240 0.985767
C 0.393591 2.856461 2.048325
C 0.507674 2.343483 -0.346310
C -0.786373 -0.927202 -0.437272
C -0.444325 3.960737 1.774654
C -0.333831 3.442471 -0.616471
C -2.227553 -1.262736 -0.532053
C -0.808460 4.255095 0.441310
C -3.033415 -1.505343 0.617522
C -2.815827 -1.340777 -1.827566
C -4.398987 -1.819246 0.470982
C -4.179989 -1.653705 -1.969099
C -4.974042 -1.893591 -0.820402
H 1.967127 0.856599 2.411440
H 3.200587 1.646697 -0.264416
H 4.016952 1.205522 1.273806
H 5.228482 -1.445195 0.363564
H 5.074293 -0.534833 -1.176467
H 3.703311 -2.236510 -2.216089
H 4.629056 -3.300403 -1.080812
H -0.249623 -1.853350 1.482473
H -0.664396 -0.123803 1.605017
H 0.679842 2.635640 3.084591
H 0.855777 1.711552 -1.172211
H -0.807448 4.588156 2.594842
H -0.620976 3.666371 -1.648952
H -1.456464 5.111108 0.226457
H -2.611481 -1.451223 1.627232
H -2.183632 -1.153407 -2.701475
H -5.016429 -2.005537 1.355323
H -4.628256 -1.712856 -2.965882
H -6.035861 -2.137651 -0.930974


