%chk=000054872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054872

0 1
 S   -1.604100      -1.210000       1.620200    
 O   -4.113000     -0.2568000      0.6077000    
 N    3.052400       1.656200      0.4369000    
 C   0.7905000      0.7598000      0.2656000    
 C    1.250700     -0.6144000     -0.2058000    
 C    1.765800       1.886300     -0.1331000    
 C  -0.6809000      0.9752000     -7.8400001E-02
 C   0.9244000      -1.746300      0.5698000    
 C   -1.717500      0.1822000      0.4752000    
 C   0.1571000      -1.592300       1.852500    
 C    1.922400     -0.8035000      -1.424700    
 C   -1.039300       1.993400     -0.9906000    
 C    1.299100      -3.025900      0.1304000    
 C   -3.055000      0.4593000      0.1095000    
 C    2.293000      -2.080700      -1.848700    
 C    2.997700       1.608200       1.910700    
 C    4.025800       2.686200      2.5699999E-02
 C   -2.366700       2.243000      -1.338400    
 C    1.984900      -3.190700      -1.070600    
 C   -3.377100       1.477300     -0.7847000    
 C   -4.510200      -1.406500     -0.1290000    
 H   0.7628000      0.7942000       1.356800    
 H    1.365800       2.851300      0.2112000    
 H    1.839700       1.969600      -1.224100    
 H   0.1925000      -2.534600       2.412800    
 H   0.6251000     -0.8642000       2.521700    
 H    2.158100      3.1399999E-02  -2.077200    
 H  -0.2868000       2.619500      -1.461600    
 H    1.052500      -3.905000      0.7206000    
 H    2.815200      -2.207600      -2.792700    
 H    2.573200      0.6695000       2.276900    
 H    2.447100       2.455200       2.335800    
 H    4.011800       1.629900       2.329300    
 H    5.023900       2.448000      0.4094000    
 H    3.741000       3.683100      0.3810000    
 H    4.108900       2.716800      -1.066500    
 H   -2.604300       3.035500      -2.041700    
 H    2.269400      -4.184700      -1.402600    
 H   -4.411300       1.673400      -1.053600    
 H   -5.152600      -1.103600     -0.9618000    
 H   -5.086200      -2.058400      0.5336000    
 H   -3.654700      -1.969200     -0.5169000    


%chk=000054872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054872

0 1
S -1.610619 -0.884228 1.930371
O -4.145300 -0.222989 0.631149
N 3.100629 1.759022 0.588176
C 0.777872 0.780239 0.402514
C 1.218202 -0.579615 -0.159801
C 1.727101 1.955172 0.075953
C -0.666207 1.010002 -0.080518
C 0.811429 -1.764516 0.522384
C -1.738365 0.268047 0.495788
C 0.155979 -1.670539 1.873222
C 1.900817 -0.701877 -1.392081
C -0.959254 1.901892 -1.143699
C 1.068417 -3.033040 -0.055488
C -3.063532 0.453143 0.010670
C 2.170043 -1.968664 -1.953868
C 3.194625 1.715797 2.060120
C 4.044777 2.732822 0.004945
C -2.276450 2.085949 -1.614278
C 1.745567 -3.141665 -1.289005
C -3.336297 1.359021 -1.034471
C -4.458149 -1.538506 0.034035
H 0.722169 0.703607 1.505154
H 1.261093 2.894651 0.474918
H 1.811925 2.089381 -1.018672
H -0.025587 -2.672330 2.295373
H 0.762582 -1.092017 2.589485
H 2.233252 0.197783 -1.919286
H -0.149036 2.473118 -1.606007
H 0.743976 -3.938410 0.471798
H 2.706420 -2.041425 -2.906704
H 2.625975 0.860399 2.463690
H 2.818506 2.648423 2.554219
H 4.250094 1.575197 2.352723
H 5.072099 2.498441 0.336237
H 3.825256 3.794114 0.289091
H 4.018991 2.663518 -1.097632
H -2.475543 2.796850 -2.423243
H 1.945601 -4.127726 -1.722575
H -4.373667 1.489406 -1.359491
H -4.745027 -1.425078 -1.029734
H -5.306968 -1.931598 0.613930
H -3.592295 -2.221669 0.121208


