%chk=000100339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100339

0 1
 I    5.115100     -8.8000000E-03 -1.7800000E-02
 S   -3.666100     -0.7171000     -0.1058000    
 S   -1.542200      -2.723000      0.4742000    
 O   -1.378600       2.336800     -0.2873000    
 N   -1.187800      3.1999999E-03  5.7000001E-03
 C   0.2480000      3.0000001E-04 -1.9999999E-04
 C   -1.867900       1.222600     -0.1145000    
 C   -3.357400       1.046300     -3.2099999E-02
 C   -1.972100      -1.144900      0.1082000    
 C   0.9492000       1.100500      0.4929000    
 C   0.9415000      -1.102700     -0.4983000    
 C    2.344200       1.097800      0.4879000    
 C    2.336400      -1.105600     -0.5030000    
 C    3.037700     -5.2999998E-03 -9.9999998E-03
 H   -3.718800       1.459800      0.9130000    
 H   -3.838700       1.550700     -0.8735000    
 H   0.4658000       1.952700      0.9582000    
 H   0.4655000      -1.927000      -1.014200    
 H    2.871900       1.958500      0.8911000    
 H    2.858100      -1.962900     -0.9214000    


%chk=000100339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100339

0 1
I 5.202891 -0.021452 -0.124111
S -3.745474 -0.705758 0.416736
S -1.385160 -2.539165 1.131854
O -1.336930 2.246268 -0.728158
N -1.200046 0.025540 0.087430
C 0.251716 -0.000287 0.051506
C -1.897377 1.200450 -0.332114
C -3.410588 1.027363 -0.242515
C -1.958613 -1.078329 0.538860
C 0.980389 0.933583 0.817653
C 0.916940 -0.937966 -0.767091
C 2.391436 0.931144 0.769230
C 2.327094 -0.948196 -0.816373
C 3.053500 -0.012251 -0.046527
H -3.834514 1.779625 0.440957
H -3.857888 1.145960 -1.241703
H 0.458836 1.663143 1.443754
H 0.345030 -1.658083 -1.358753
H 2.957938 1.655551 1.360148
H 2.844618 -1.675241 -1.447683


