%chk=000083401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083401

0 1
 S    1.582100     -0.1582000       1.684200    
 S   -1.311000      0.5734000       1.550300    
 S    3.647700      -1.791800      0.3212000    
 S   -2.055900       2.463000     -0.6083000    
 O  -0.3151000      -1.861700      0.1309000    
 O   0.1130000     -0.4965000      -1.677600    
 N    3.247300      0.8872000     -0.1988000    
 N   -3.543100      0.2283000      2.6900001E-02
 C   0.2262000      0.3788000      0.5890000    
 C    2.901300     -0.2859000      0.5003000    
 C   -2.428500       1.058900      0.2564000    
 C   9.8999999E-03 -0.6782000     -0.4706000    
 C    3.808300      0.9041000      -1.553100    
 C    3.037200       2.222700      0.3650000    
 C   -4.551800      0.4684000      -1.009700    
 C   -3.819900     -0.9520000      0.8491000    
 C  -0.5479000      -2.960500     -0.7552000    
 H   0.4971000       1.321400      0.1167000    
 H    3.215000       1.581800      -2.174300    
 H    3.788400     -8.8299997E-02  -2.007800    
 H    4.840900       1.260600      -1.499900    
 H    2.810400       2.201600       1.432100    
 H    2.231600       2.721100     -0.1811000    
 H    3.958600       2.800300      0.2363000    
 H   -4.636100     -0.4304000      -1.628700    
 H   -4.309000       1.310400      -1.658000    
 H   -5.510400      0.6678000     -0.5209000    
 H   -3.058900      -1.711300      0.6520000    
 H   -4.804200      -1.367400      0.6117000    
 H   -3.808000     -0.6810000       1.908500    
 H  -0.7948000      -3.837600     -0.1512000    
 H   0.3535000      -3.176300      -1.336500    
 H   -1.391700      -2.740700      -1.416300    


%chk=000083401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083401

0 1
S 0.864715 -0.012083 1.307583
S -1.852543 -0.858667 0.203406
S 3.776946 -0.456265 1.983077
S -1.961104 2.155475 -0.762357
O 0.232216 -2.771589 -0.632704
O 1.400115 -1.301049 -2.013018
N 2.999979 0.970604 -0.221409
N -3.978102 0.776422 0.485483
C -0.118734 -0.406657 -0.324401
C 2.668537 0.232202 0.879699
C -2.702523 0.809995 -0.013995
C 0.573391 -1.511081 -1.092494
C 4.405854 1.014341 -0.679089
C 2.066187 1.829530 -0.979505
C -4.878994 1.945783 0.384926
C -4.552640 -0.425815 1.136353
C 0.952127 -3.907579 -1.261773
H -0.208115 0.510327 -0.932313
H 4.415984 1.119294 -1.777344
H 4.918303 0.085932 -0.383429
H 4.943392 1.865214 -0.218848
H 1.189950 2.085058 -0.362643
H 1.737566 1.323692 -1.906024
H 2.587152 2.765639 -1.246992
H -5.787685 1.673170 -0.182792
H -4.355505 2.762131 -0.133126
H -5.170274 2.282414 1.396913
H -4.693576 -1.248529 0.410830
H -5.532538 -0.158948 1.560534
H -3.898868 -0.781677 1.952238
H 0.527259 -4.801847 -0.786442
H 2.032059 -3.822254 -1.056550
H 0.781669 -3.911185 -2.351192


