%chk=000096963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096963

0 1
 S    4.003300     -0.6160000      0.2394000    
 S   -3.409100       1.909200     -6.4000003E-02
 O   -1.206000      -2.729200     -6.9399998E-02
 N  -0.7165000       1.389000      6.1200000E-02
 N   -2.170100     -0.5746000     -6.1999999E-02
 N    1.428400      -1.389300      9.5399998E-02
 N    1.681900      0.8199000      0.1645000    
 C   0.1716000     -0.8568000      4.7100000E-02
 C   0.3512000      0.4964000      9.0899996E-02
 C   -1.091600      -1.507000     -3.1900000E-02
 C   -2.053600      0.8773000     -1.9800000E-02
 C    2.304900     -0.3395000      0.1653000    
 C  -0.4351000       2.830600      0.1119000    
 C   -3.506900      -1.179900     -0.1440000    
 C    4.647500      0.8699000     -0.5846000    
 H    1.669700      -2.371400      8.1699997E-02
 H  -0.8252000       3.304100     -0.7944000    
 H   0.6370000       3.035000      0.1786000    
 H  -0.9274000       3.262200      0.9887000    
 H   -4.003000     -0.8331000      -1.055900    
 H   -4.093800     -0.8747000      0.7279000    
 H   -3.473400      -2.271900     -0.1677000    
 H    4.245000      0.9476000      -1.598300    
 H    5.736900      0.8037000     -0.6438000    
 H    4.381800       1.766100     -1.7300000E-02


%chk=000096963-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096963

0 1
S 4.121365 -0.740339 -0.218347
S -3.341707 1.925106 0.007944
O -1.371207 -2.811232 0.017444
N -0.688544 1.323281 -0.078840
N -2.182074 -0.565038 0.007377
N 1.442957 -1.520004 -0.104910
N 1.729465 0.741339 -0.156585
C 0.161487 -0.952032 -0.069751
C 0.373556 0.431184 -0.102155
C -1.131611 -1.566061 -0.012428
C -2.010509 0.839579 -0.024012
C 2.347578 -0.469692 -0.157704
C -0.429117 2.777987 -0.111132
C -3.568416 -1.085214 0.065815
C 4.682836 1.057847 -0.278062
H 1.640173 -2.520746 -0.100482
H -0.916079 3.226906 -0.992323
H 0.661157 2.918633 -0.153145
H -0.851082 3.254645 0.788839
H -4.137524 -0.735743 -0.811063
H -4.072381 -0.709672 0.971320
H -3.503783 -2.183012 0.079510
H 4.266624 1.539413 -1.172887
H 5.781356 1.014840 -0.323706
H 4.342977 1.575624 0.628785


