%chk=000086459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086459

0 1
 S  -0.6551000       1.202300     -0.9748000    
 O  -0.2709000      0.8801000      -2.336800    
 O   -1.339200       2.453100     -0.7032000    
 N   0.7195000       1.063300      5.6600001E-02
 N   -2.774800       1.388900       1.208700    
 C    1.474700     -0.2142000      3.5500001E-02
 C    2.556700     -0.1385000      -1.042600    
 C    2.079500     -0.4613000       1.418000    
 C    3.441700      -1.382500      -1.033500    
 C    2.964800      -1.705100       1.425900    
 C    4.042100      -1.635800      0.3467000    
 C    1.619800       2.238200      0.1740000    
 C   -1.703000     -0.1050000     -0.4011000    
 C    1.164100       3.170300       1.283800    
 C   -2.627900      0.1209000      0.6042000    
 C   -1.565100      -1.351600     -0.9894000    
 C   -3.438500     -0.9297000       1.034400    
 C   -2.375900      -2.402100     -0.5593000    
 C   -3.312500      -2.191100      0.4527000    
 H   0.8219000      -1.059700     -0.1790000    
 H    3.229500      0.7176000     -0.9508000    
 H    2.098400     -4.9500000E-02  -2.033800    
 H    1.275200     -0.5840000       2.154300    
 H    2.680800      0.3841000       1.769100    
 H    4.244600      -1.272400      -1.771400    
 H    2.848100      -2.253600      -1.337600    
 H    2.344100      -2.595000       1.264400    
 H    3.434000      -1.818700       2.409700    
 H    4.612600      -2.571200      0.3348000    
 H    4.748900     -0.8328000      0.5892000    
 H    2.654900       1.988400      0.4125000    
 H    1.645000       2.777200     -0.7804000    
 H   0.1636000       3.568700       1.094700    
 H    1.136900       2.646800       2.245300    
 H    1.850600       4.017900       1.374900    
 H  -0.8481000      -1.541600      -1.782200    
 H   -4.172700     -0.7796000       1.821900    
 H   -2.278800      -3.384200      -1.012800    
 H   -3.943700      -3.009200      0.7873000    
 H   -2.147000       2.149200      0.9934000    
 H   -3.455700       1.510300       1.947400    


%chk=000086459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086459

0 1
S -0.543624 1.004086 -1.265753
O -0.028684 0.354723 -2.677232
O -1.160523 2.534836 -1.262279
N 0.762210 1.030357 0.139512
N -2.728277 1.610181 0.920093
C 1.664610 -0.161157 0.033506
C 2.778403 -0.102685 -1.048939
C 2.274966 -0.437816 1.434406
C 3.581308 -1.427312 -1.061188
C 3.085992 -1.756665 1.420453
C 4.182899 -1.741544 0.329012
C 1.363363 2.386573 0.303037
C -1.804609 -0.163479 -0.525394
C 1.155386 2.894135 1.745373
C -2.693079 0.296155 0.494177
C -1.806803 -1.475726 -1.030992
C -3.567706 -0.696654 1.043262
C -2.693062 -2.422809 -0.479821
C -3.557835 -2.019744 0.570376
H 1.001784 -1.019706 -0.207683
H 3.472091 0.734148 -0.829883
H 2.322653 0.082661 -2.037973
H 1.465039 -0.480393 2.185253
H 2.945734 0.400138 1.711701
H 4.381791 -1.369558 -1.823287
H 2.910908 -2.256875 -1.368005
H 2.396655 -2.606273 1.236402
H 3.537033 -1.922644 2.417979
H 4.712045 -2.713809 0.307455
H 4.939062 -0.969443 0.581648
H 2.436529 2.380080 0.032249
H 0.848578 3.080532 -0.390277
H 0.078385 2.916588 1.986173
H 1.654447 2.240864 2.481070
H 1.564704 3.916880 1.850196
H -1.129911 -1.728301 -1.854820
H -4.264954 -0.400452 1.836186
H -2.711510 -3.448403 -0.859009
H -4.247632 -2.746997 1.013578
H -2.243054 2.325559 0.362472
H -3.392209 1.888848 1.637666


