%chk=000084419.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084419

1 1
 S   -4.831700      -1.515100     -0.2134000    
 O   -8.680600      -1.144700      5.2700002E-02
 O   -7.403600      -2.893600     -0.3073000    
 N    3.101800       1.844600     -6.5800004E-02
 N    5.018200      -1.362200     -0.3513000    
 N   -2.471800       1.357700      0.1447000    
 N   -2.805400      0.1634000     -3.8400002E-02
 N   -5.005900       1.026800      0.2236000    
 N   -7.531800      -1.653800     -9.2500001E-02
 C    3.950500      0.7466000      0.3524000    
 C    4.116900     -0.2641000     -0.7728000    
 C    3.714100       3.075100     -0.5256000    
 C    1.697600       1.721800     -1.3100000E-02
 C    3.921300       4.022700      0.6403000    
 C   0.9409000       1.861000      -1.176700    
 C    1.065500       1.461300       1.202800    
 C    4.474900      -2.427200      0.2307000    
 C    6.320900      -1.222600     -0.5784000    
 C  -0.4477000       1.739800      -1.124400    
 C  -0.3231000       1.340000       1.255000    
 C   -1.079700       1.479300      9.1399997E-02
 C    5.294600      -3.471100      0.6353000    
 C    7.188500      -2.235000     -0.1941000    
 C    6.665400      -3.369600      0.4186000    
 C   -4.204400      4.1800000E-02  1.5500000E-02
 C   -6.395900     -0.8401000     -1.5400000E-02
 C   -6.289400      0.5170000      0.2063000    
 H    3.553500      0.2519000       1.246900    
 H    4.936500       1.125600      0.6499000    
 H    3.158000     -0.7066000      -1.069100    
 H    4.540100      0.1987000      -1.673000    
 H    4.683100       2.861900     -0.9932000    
 H    3.109200       3.568300      -1.295100    
 H    4.405100       4.943600      0.2997000    
 H    4.554300       3.572300       1.412000    
 H    2.968000       4.293600       1.106000    
 H    1.417800       2.053600      -2.134300    
 H    1.637500       1.361500       2.121600    
 H    3.401500      -2.440400      0.3743000    
 H    6.663000     -0.3124000      -1.055200    
 H   -1.028400       1.848400      -2.036700    
 H  -0.8067000       1.140300       2.207700    
 H    4.874600      -4.349600       1.113300    
 H    8.255400      -2.143100     -0.3673000    
 H    7.326000      -4.174200      0.7279000    
 H   -7.119200       1.193800      0.3640000    


%chk=000084419-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084419

1 1
S -5.865938 1.402651 -0.788200
O -9.240391 -0.522252 0.170717
O -8.866301 1.395704 -1.042435
N 3.069893 1.618037 -0.348293
N 5.461563 -1.326362 -0.052821
N -2.342722 0.056743 0.393638
N -3.281278 0.789955 -0.183149
N -5.057899 -0.734470 0.662997
N -8.470204 0.378452 -0.347296
C 4.139321 0.821272 0.232331
C 4.439376 -0.436176 -0.668561
C 3.465265 2.809607 -1.150137
C 1.721114 1.261383 -0.168072
C 3.381295 4.131202 -0.357043
C 0.670189 2.028891 -0.776608
C 1.348177 0.123677 0.621608
C 5.067814 -2.276207 0.872450
C 6.803289 -1.127866 -0.320854
C -0.669910 1.670769 -0.618823
C 0.001980 -0.226823 0.783132
C -1.029985 0.529972 0.162811
C 6.016965 -3.056697 1.543013
C 7.781857 -1.889612 0.328384
C 7.394921 -2.869060 1.275837
C -4.581858 0.338825 0.009129
C -7.047115 0.231598 -0.129899
C -6.430847 -0.799963 0.590250
H 3.885645 0.484898 1.254683
H 5.051768 1.437863 0.311333
H 3.508946 -1.010510 -0.810244
H 4.802971 -0.109986 -1.656629
H 4.503732 2.649660 -1.495188
H 2.844543 2.859036 -2.062208
H 3.684660 4.976794 -0.999576
H 4.048927 4.113656 0.522674
H 2.355471 4.322693 0.000064
H 0.904944 2.915892 -1.369667
H 2.101911 -0.477423 1.139301
H 3.992485 -2.391904 1.025731
H 7.044916 -0.366494 -1.065732
H -1.466066 2.258157 -1.085947
H -0.291823 -1.089174 1.390080
H 5.674725 -3.806690 2.259960
H 8.833438 -1.717402 0.087355
H 8.147614 -3.473289 1.789118
H -6.977976 -1.612026 1.070286


