%chk=000066458.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066458

0 1
 S  -0.8865000      -1.072400     -0.3713000    
 S    2.548900       1.196400      0.9290000    
 O  -0.4703000     -0.8350000      -1.748500    
 O  -0.9259000      -2.442800      0.1241000    
 N   0.1072000     -0.1148000      0.6603000    
 N    3.511900     -0.7784000     -0.3893000    
 N    2.157200      -1.034700     -0.2691000    
 N   -6.263300       1.365000      0.3420000    
 C    5.213400      0.9123000      0.2448000    
 C    3.848000      0.3535000      0.1914000    
 C   -2.465200     -0.3567000     -0.1616000    
 C    5.788300       1.236900      -1.153400    
 C    6.208000      5.2000000E-03   1.005600    
 C    1.521200     -8.3499998E-02  0.3997000    
 C   -2.874300      0.6857000     -0.9933000    
 C   -3.317400     -0.8271000      0.8375000    
 C   -4.135400       1.257800     -0.8259000    
 C   -4.578500     -0.2550000       1.004800    
 C   -4.987400      0.7874000      0.1731000    
 H    5.196400       1.865400      0.7918000    
 H    5.129200       1.927500      -1.691000    
 H    6.775200       1.703900      -1.070100    
 H    5.888000      0.3297000      -1.759600    
 H    5.851300     -0.1910000       2.022700    
 H    7.192500      0.4795000       1.076000    
 H    6.327500     -0.9600000      0.5010000    
 H  -0.2856000      0.7278000       1.097100    
 H   -2.224800       1.073300      -1.773200    
 H   -3.016000      -1.633500       1.500100    
 H   -4.442100       2.070600      -1.479300    
 H   -5.233000     -0.6293000       1.787900    
 H   -6.880700       1.025300       1.067300    
 H   -6.559800       2.121900     -0.2596000    


%chk=000066458-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066458

0 1
S -1.073049 0.775642 -2.237217
S 3.088625 1.878729 -1.012767
O -1.687566 1.779933 -3.361180
O -0.339092 -0.612734 -2.639458
N 0.260125 1.962738 -1.370012
N 2.403040 -0.085760 0.666380
N 1.189055 0.362329 0.142831
N -5.250259 -0.196249 2.006534
C 4.898119 0.322935 0.691087
C 3.478126 0.564633 0.234835
C -2.333325 0.489542 -0.911646
C 5.811960 -0.059925 -0.507122
C 4.948178 -0.752618 1.802144
C 1.326105 1.370145 -0.736048
C -3.537281 1.215177 -0.986452
C -2.053368 -0.442265 0.106972
C -4.516270 0.979989 -0.007916
C -3.037484 -0.667608 1.081018
C -4.282284 0.035761 1.039740
H 5.277061 1.278296 1.111826
H 5.818595 0.724582 -1.285280
H 6.849071 -0.204627 -0.155014
H 5.466700 -1.001357 -0.970152
H 4.313956 -0.473444 2.659993
H 5.989620 -0.875517 2.150336
H 4.584475 -1.722614 1.422103
H 0.449234 2.709463 -2.055053
H -3.702355 1.929161 -1.799497
H -1.084811 -0.949302 0.147186
H -5.466470 1.524244 -0.049421
H -2.843185 -1.384042 1.886935
H -5.090318 -0.864333 2.755451
H -6.136926 0.299996 1.989863


