%chk=000118625.chk
%nprocshared=8
%mem=61GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118625

0 1
 S   0.6737000       1.439300     -0.3356000    
 S    3.487400       2.503200     -0.3594000    
 O    1.616300      -2.114200      0.6866000    
 N   -2.068300     -0.1727000     -0.1642000    
 N    2.683100     -6.5499999E-02  0.2489000    
 C   -4.893400      0.3287000      4.1499998E-02
 C   -4.348700     -0.9013000     -0.6823000    
 C   -3.915100      0.8040000       1.114100    
 C   -2.947800     -0.6459000      -1.234500    
 C   -2.521300       1.032500      0.5323000    
 C  -0.8645000     -0.7579000      0.1014000    
 C   0.3464000     -0.1956000      6.6000000E-02
 C    1.595400     -0.9307000      0.3752000    
 C    4.048900     -0.5190000      0.4980000    
 C    2.412200       1.245800     -0.1239000    
 C    4.696000      -1.050600     -0.7642000    
 H   -5.064000       1.134800     -0.6825000    
 H   -5.861400      9.4099998E-02  0.4978000    
 H   -4.316900      -1.745800      1.7700000E-02
 H   -5.024200      -1.182800      -1.497600    
 H   -4.284300       1.729200       1.570400    
 H   -3.860100      5.0400000E-02   1.909800    
 H   -2.561400      -1.569300      -1.682800    
 H   -2.985400      0.1067000      -2.031600    
 H   -2.540300       1.877000     -0.1671000    
 H   -1.849500       1.300300       1.356700    
 H  -0.9706000      -1.826400      0.2638000    
 H    4.655200      0.2830000      0.9289000    
 H    4.012000      -1.325400       1.239700    
 H    4.123100      -1.888100      -1.176600    
 H    4.760800     -0.2819000      -1.540300    
 H    5.709400      -1.405100     -0.5519000    


%chk=000118625-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118625

0 1
S 0.715824 1.586396 0.490322
S 3.632068 2.234678 1.326577
O 1.616501 -2.189663 -0.316085
N -2.132816 -0.174388 -0.605356
N 2.657471 -0.204014 0.454601
C -4.871773 0.337522 0.310179
C -4.387243 -1.090546 -0.034580
C -3.684216 1.219581 0.762570
C -3.242490 -1.044057 -1.072859
C -2.555033 1.212584 -0.295767
C -0.872628 -0.681329 -0.467709
C 0.325286 -0.121482 -0.052560
C 1.522411 -0.962442 -0.009156
C 3.980015 -0.868626 0.550356
C 2.479816 1.132362 0.768181
C 4.808919 -0.684961 -0.735377
H -5.347021 0.790802 -0.584368
H -5.645177 0.300501 1.098980
H -4.024914 -1.595595 0.881577
H -5.218122 -1.697269 -0.441630
H -4.012826 2.262992 0.926209
H -3.280066 0.845822 1.722819
H -2.845691 -2.054237 -1.270191
H -3.629799 -0.638052 -2.031346
H -2.921600 1.680859 -1.233661
H -1.694059 1.800979 0.053268
H -0.774951 -1.743413 -0.734571
H 4.502901 -0.432989 1.418933
H 3.773927 -1.937324 0.731147
H 4.286628 -1.123773 -1.602733
H 4.998447 0.384662 -0.928859
H 5.782914 -1.194780 -0.624611


