%chk=000227268.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227268

0 1
 S  -8.9400001E-02  -1.844200      6.4499997E-02
 O  -0.2640000      -2.399300      -1.264100    
 O   0.2824000      -2.704300       1.171600    
 O   -2.091500       1.531500       1.565000    
 N   -1.491600     -0.9343000      0.4700000    
 N   -1.574000       2.487400     -0.4584000    
 C   -1.979700      0.1054000     -0.3978000    
 C    1.133800     -0.5717000     -3.2699998E-02
 C   -3.400200     -0.1859000     -0.8552000    
 C   -1.909000       1.425400      0.3545000    
 C    1.846200     -0.2309000       1.104000    
 C    1.356300      6.0600001E-02  -1.243800    
 C    2.811000      0.7736000       1.027500    
 C    2.321200       1.065000      -1.320200    
 C    3.048500       1.421400     -0.1846000    
 H   -1.369500      0.1741000      -1.302100    
 H   -1.855700     -0.9742000       1.429600    
 H   -3.771600      0.6067000      -1.513500    
 H   -3.448900      -1.135700      -1.398500    
 H   -4.085100     -0.2546000     -2.3000001E-03
 H    1.670200     -0.7174000       2.058300    
 H   0.8066000     -0.2039000      -2.141600    
 H    3.375900       1.052900       1.912000    
 H    2.506900       1.569200      -2.264100    
 H    3.799500       2.203800     -0.2442000    
 H   -1.419400       2.385100      -1.456300    
 H   -1.479500       3.423400     -7.8400001E-02


%chk=000227268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227268

0 1
S 0.009706 -1.194643 -0.583625
O -0.276822 -0.847842 -2.157881
O 0.162614 -2.744911 -0.138638
O -1.455068 2.105567 -0.808828
N -1.398351 -0.415700 0.439281
N -2.894388 1.341647 -2.467697
C -2.542619 -0.063958 -0.442552
C 1.529240 -0.252581 0.047688
C -3.766120 0.186742 0.475469
C -2.232307 1.211330 -1.272486
C 2.464338 -0.988223 0.792154
C 1.668447 1.105784 -0.285913
C 3.621332 -0.307374 1.237473
C 2.832583 1.765234 0.173773
C 3.801658 1.061753 0.928782
H -2.745048 -0.919447 -1.110909
H -0.988232 0.471942 0.811836
H -4.663168 0.416835 -0.126963
H -3.957678 -0.712392 1.082897
H -3.576145 1.036768 1.154023
H 2.288501 -2.048179 1.003752
H 0.901677 1.631823 -0.865253
H 4.375568 -0.845423 1.820817
H 2.977080 2.825210 -0.058845
H 4.700496 1.582234 1.276858
H -3.387670 0.556205 -2.889376
H -2.720225 2.170702 -3.036637


