%chk=000043990.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043990

0 1
 S    4.240400       1.008300     -2.8999999E-02
 S    2.522000      -1.376300      0.1354000    
 O  -0.8582000       2.346100     -0.1855000    
 N   0.4144000      0.4159000     -6.0800001E-02
 N    1.579800       1.104800     -9.3999997E-02
 C    5.074200     -0.5925000     -0.2269000    
 C    4.273200      -1.623900      0.5457000    
 C    2.624200      0.3573000     -8.8000000E-03
 C   -2.013700      0.3078000     -5.1399998E-02
 C  -0.7993000       1.105400     -0.1107000    
 C   -3.187800      0.8617000      0.4588000    
 C   -2.004300      -1.011400     -0.5044000    
 C   -4.352700      9.6299998E-02  0.5160000    
 C   -3.169100      -1.776700     -0.4473000    
 C   -4.343200      -1.222800      6.2899999E-02
 H    6.101000     -0.5299000      0.1453000    
 H    5.115200     -0.8429000      -1.292800    
 H    4.580500      -2.640400      0.2832000    
 H    4.406700      -1.498300       1.625900    
 H   -3.215100       1.886100      0.8210000    
 H   -1.120000      -1.471800     -0.9352000    
 H   0.4764000     -0.5905000      5.0200000E-02
 H   -5.266800      0.5271000      0.9138000    
 H   -3.164200      -2.801800     -0.8061000    
 H   -5.250500      -1.818300      0.1060000    


%chk=000043990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043990

0 1
S 4.294227 1.082352 0.063513
S 2.769448 -1.635729 0.014120
O -0.841583 2.343414 -0.138098
N 0.349747 0.322339 -0.023875
N 1.586341 0.945816 -0.072669
C 5.285959 -0.501479 -0.222726
C 4.592165 -1.643396 0.526110
C 2.668064 0.235316 -0.018667
C -2.094268 0.258872 -0.045345
C -0.833617 1.085220 -0.080798
C -3.271756 0.895747 0.424663
C -2.163305 -1.089240 -0.488766
C -4.491121 0.190416 0.478768
C -3.386944 -1.792763 -0.438059
C -4.551393 -1.158146 0.052698
H 6.295305 -0.313101 0.179360
H 5.337340 -0.695690 -1.305255
H 4.994256 -2.627482 0.235427
H 4.645419 -1.513618 1.618169
H -3.205121 1.944258 0.732888
H -1.284091 -1.585064 -0.918175
H 0.295787 -0.683753 0.190043
H -5.393565 0.689041 0.848725
H -3.434608 -2.828315 -0.792253
H -5.499587 -1.705712 0.091503


