%chk=000067530.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067530

0 1
 S   -2.767200      -1.354500      -1.268700    
 S  -0.2807000      -2.940500      -1.891600    
 O   -5.260200       2.504500      4.1499998E-02
 N  -0.6823000      -1.201600      0.2357000    
 N    3.888100      0.5055000      0.3357000    
 N    2.202300       1.448500      -1.105000    
 N    3.357500      -1.309200       1.767300    
 C   -1.638500     -0.3516000      0.8047000    
 C   0.6387000      -1.356400      0.8434000    
 C   -2.803500     -0.3148000      0.1314000    
 C   -4.043500      0.4617000      0.4226000    
 C   -1.104500      -1.858200     -0.9248000    
 C    1.668000     -0.3812000      0.3387000    
 C   -1.311200      0.4113000       2.051100    
 C   -4.041400       1.831100     -0.2447000    
 C    2.962500     -0.3671000      0.7858000    
 C    1.328400      0.5472000     -0.6106000    
 C    3.446400       1.372500     -0.5953000    
 C    4.441100       2.352900      -1.117200    
 H   0.5569000      -1.297800       1.933900    
 H   0.9918000      -2.369700      0.6203000    
 H   -4.936400     -9.7999997E-02  0.1140000    
 H   -4.170900      0.5871000       1.505200    
 H  -0.4067000       1.013600       1.925900    
 H   -1.176700     -0.2676000       2.899100    
 H   -2.109400       1.108200       2.324400    
 H   -3.957900       1.742500      -1.332700    
 H   -3.211800       2.451900      0.1102000    
 H   0.3419000      0.6418000      -1.046600    
 H    2.910100      -2.216800       1.782200    
 H    4.320800      -1.259600       2.076500    
 H   -5.320500       2.603100       1.007000    
 H    5.220000       2.551900     -0.3744000    
 H    3.956300       3.303000      -1.362600    
 H    4.912300       1.955300      -2.020900    


%chk=000067530-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067530

0 1
S -2.956369 -1.390990 -1.144901
S -0.474852 -3.156787 -1.825562
O -5.455242 2.519072 -0.115097
N -0.736289 -1.300213 0.229759
N 3.863528 0.528780 0.385056
N 2.212064 1.509497 -1.102432
N 3.436909 -1.392743 1.637558
C -1.591988 -0.356369 0.871892
C 0.652992 -1.543733 0.665697
C -2.831819 -0.257068 0.283889
C -3.999268 0.626580 0.627354
C -1.250549 -1.983727 -0.876886
C 1.635585 -0.471852 0.222261
C -1.102512 0.381610 2.090685
C -4.247404 1.746046 -0.422656
C 2.972557 -0.447410 0.742123
C 1.332724 0.529240 -0.716728
C 3.449246 1.472377 -0.514131
C 4.442424 2.542440 -0.891989
H 0.660590 -1.640924 1.769509
H 0.931770 -2.525863 0.228281
H -4.930312 0.033878 0.709459
H -3.833093 1.089688 1.619535
H -0.160350 0.922086 1.889382
H -0.924516 -0.306820 2.938675
H -1.851023 1.119559 2.417323
H -4.445347 1.302559 -1.412154
H -3.351839 2.396904 -0.504589
H 0.345383 0.562127 -1.190154
H 2.916882 -2.235874 1.862042
H 4.405939 -1.306656 1.940697
H -5.302239 3.062095 0.698776
H 4.802448 3.072072 0.007870
H 3.975771 3.258379 -1.584275
H 5.328002 2.091042 -1.374769


