%chk=000044597.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044597

0 1
 S  -0.5873000      -1.092800       1.294000    
 S   -1.798600      -1.901200     -0.1466000    
 S   -4.733100      -1.549400      5.8200002E-02
 C    1.589900     -2.1100000E-02  0.1029000    
 C   0.1358000      0.1036000      0.2810000    
 C   -1.941400       1.445700     -0.2420000    
 C  -0.5308000       1.092200     -0.3384000    
 C    2.460200      0.6382000      0.9728000    
 C    2.103300     -0.7989000     -0.9363000    
 C   -2.153300       2.943400     -0.3089000    
 C   -3.018000      0.6416000     -0.1365000    
 C    3.839800      0.5202000      0.8038000    
 C    3.482900     -0.9169000      -1.105200    
 C    4.351100     -0.2574000     -0.2350000    
 C   -3.200600     -0.8472000     -6.3900001E-02
 H   4.6500001E-02   1.776900     -0.9624000    
 H    2.078100       1.248900       1.787400    
 H    1.441400      -1.318700      -1.624900    
 H   -1.807500       3.340100      -1.270200    
 H   -1.601100       3.444800      0.4941000    
 H   -3.206400       3.225200     -0.2009000    
 H   -3.979900       1.158300     -9.1300003E-02
 H    4.515800       1.033900       1.481000    
 H    3.881300      -1.522000      -1.914300    
 H    5.425200     -0.3492000     -0.3667000    


%chk=000044597-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044597

0 1
S -0.647715 -1.535631 0.820811
S -2.186799 -1.931187 -0.882905
S -4.942539 -1.055735 -1.311269
C 1.643467 -0.110622 -0.005754
C 0.164374 -0.053011 0.126035
C -1.970862 1.425331 0.039570
C -0.566262 1.080144 -0.173764
C 2.437262 1.063642 0.159709
C 2.304915 -1.337178 -0.299316
C -2.155650 2.904399 0.377325
C -3.138156 0.672460 -0.100662
C 3.837390 1.013949 0.008698
C 3.705869 -1.382747 -0.452194
C 4.479318 -0.208539 -0.302480
C -3.417393 -0.636874 -0.646633
H 0.027884 1.921607 -0.564914
H 1.960461 2.007683 0.444932
H 1.707842 -2.246677 -0.419666
H -1.769032 3.542516 -0.441147
H -1.589764 3.172846 1.289360
H -3.214826 3.161584 0.538676
H -4.069701 1.226810 0.081939
H 4.431162 1.923778 0.149643
H 4.193741 -2.334314 -0.689400
H 5.568314 -0.246037 -0.414894


