%chk=000050598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050598

0 1
 S   0.6479000     -0.5228000      -1.169500    
 S   -1.157200       1.710600      -1.896900    
 O    1.069400       1.237300      0.7113000    
 N   -1.805000     -0.2137000     -2.6000001E-02
 N    2.927300     -7.3799998E-02  0.2171000    
 C   -3.116900      0.3844000      0.2322000    
 C   -1.539800      -1.416100      0.7696000    
 C   -3.058100       1.380300       1.372000    
 C   -2.039300      -2.664400      7.2099999E-02
 C  -0.8972000      0.3305000     -0.9571000    
 C    1.591800      0.3295000      6.8000004E-02
 C    3.589500      -1.146800     -0.5258000    
 C    3.787500      0.6652000       1.133100    
 H   -3.497300      0.8786000     -0.6662000    
 H   -3.835200     -0.4097000      0.4660000    
 H  -0.4754000      -1.517400      0.9932000    
 H   -2.034900      -1.314600       1.742400    
 H   -2.736200      0.9033000       2.303300    
 H   -2.357000       2.193600       1.159800    
 H   -4.045800       1.820000       1.542800    
 H   -3.119700      -2.621900     -9.9200003E-02
 H   -1.557000      -2.801400     -0.9008000    
 H   -1.830000      -3.549000      0.6817000    
 H    4.121400     -0.6999000      -1.370800    
 H    2.889200      -1.897600     -0.8936000    
 H    4.307300      -1.649700      0.1298000    
 H    3.252600       1.475600       1.634300    
 H    4.621200       1.089600      0.5658000    
 H    4.172200     -2.5000000E-02   1.889800    


%chk=000050598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050598

0 1
S 0.661029 -0.750826 -1.160103
S -1.250051 1.496148 -2.046191
O 0.976685 0.538770 1.280975
N -1.831147 -0.263104 -0.029007
N 2.963416 -0.162718 0.259371
C -3.144704 0.419354 0.164504
C -1.572419 -1.411045 0.885662
C -3.031633 1.605839 1.142819
C -2.083951 -2.743985 0.303973
C -0.971059 0.203850 -0.977755
C 1.593694 -0.013751 0.333602
C 3.686715 -0.748140 -0.882400
C 3.793948 0.428795 1.328784
H -3.490644 0.772543 -0.822179
H -3.855637 -0.338725 0.541385
H -0.497556 -1.463516 1.105620
H -2.082493 -1.179002 1.838222
H -2.660831 1.279698 2.130838
H -2.335963 2.361666 0.742433
H -4.022407 2.076347 1.278630
H -3.160891 -2.694898 0.060437
H -1.529971 -3.000021 -0.615652
H -1.935883 -3.557486 1.037694
H 4.017578 0.032396 -1.594371
H 3.058630 -1.471025 -1.425208
H 4.575102 -1.284706 -0.504480
H 3.132323 0.874681 2.085699
H 4.451048 1.216507 0.913365
H 4.422372 -0.348944 1.801734


