%chk=000079431.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079431

0 1
 S   0.4081000     -0.9014000      0.2956000    
 S   -3.824200      -1.752900     -0.4920000    
 O    3.361500     -0.5950000     -0.5587000    
 N   -6.165900     -0.5488000     -0.9268000    
 N   -4.812000      0.3337000      0.8468000    
 N    4.903700       1.064500      -1.027700    
 N    5.370500     -0.6476000      0.5874000    
 N   -6.940400       1.326400      0.3543000    
 N    7.002200       1.052800      0.1360000    
 N   -8.241700      0.4411000      -1.384600    
 N   -5.595200       2.166500       2.082100    
 N    6.517600       2.713200      -1.447600    
 N    7.429800     -0.6330000       1.709100    
 C   -1.095600      -1.768600     -0.2062000    
 C    1.611200      -2.197800     -0.1298000    
 C   -2.310800     -0.8770000      5.2000000E-03
 C    3.033100      -1.760800      0.1856000    
 C   -5.073500     -0.5182000     -0.1528000    
 C    4.591600     -3.8500000E-02 -0.3242000    
 C   -7.058500      0.4046000     -0.6149000    
 C   -5.792100       1.230200       1.043800    
 C    6.122000       1.553900     -0.7455000    
 C    6.558600     -4.7499999E-02  0.7649000    
 H   -1.003800      -2.043900      -1.262700    
 H   -1.183100      -2.685000      0.3877000    
 H    1.520500      -2.399400      -1.202300    
 H    1.371800      -3.110400      0.4247000    
 H   -2.228000      4.0199999E-02 -0.5889000    
 H   -2.391300     -0.6023000       1.062800    
 H    3.717500      -2.573700     -8.7600000E-02
 H    3.125200      -1.570300       1.263200    
 H   -8.942400       1.141700      -1.186100    
 H   -8.373900     -0.2339000      -2.125100    
 H   -4.745500       2.131400       2.628200    
 H   -6.306600       2.859800       2.267800    
 H    5.887300       3.125700      -2.121200    
 H    7.426300       3.117300      -1.267700    
 H    8.335100     -0.2157000       1.875900    
 H    7.138100      -1.462800       2.206800    


%chk=000079431-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079431

0 1
S 0.441869 -0.608953 -0.303797
S -3.913618 -1.804820 -0.367328
O 3.569538 -0.418699 -0.743869
N -6.461382 -1.006800 -0.093106
N -4.788897 0.727317 0.231007
N 5.216420 1.187916 -0.750908
N 5.437186 -0.797987 0.640968
N -7.163741 1.275209 0.441772
N 7.199888 0.894053 0.657242
N -8.724486 -0.443458 0.117655
N -5.502303 2.900098 0.740185
N 6.927346 2.780510 -0.706331
N 7.351038 -1.039462 1.970617
C -1.136054 -1.652306 -0.499073
C 1.687607 -1.916720 -0.888144
C -2.337448 -0.754674 -0.196338
C 3.045261 -1.711261 -0.231361
C -5.181893 -0.546709 -0.038553
C 4.789906 -0.003060 -0.257183
C -7.415295 -0.043981 0.157530
C -5.833421 1.600382 0.463994
C 6.435390 1.585961 -0.252250
C 6.647683 -0.289426 1.064856
H -1.172978 -2.029064 -1.535932
H -1.078416 -2.504182 0.201465
H 1.769667 -1.868900 -1.986348
H 1.294080 -2.904783 -0.589021
H -2.417621 0.084674 -0.903426
H -2.313954 -0.355166 0.829250
H 3.749394 -2.518224 -0.509678
H 2.973633 -1.670068 0.869555
H -9.458214 0.237184 0.295789
H -8.935334 -1.415739 -0.092156
H -4.521230 3.166273 0.759904
H -6.242431 3.574438 0.916404
H 6.378681 3.312829 -1.376766
H 7.823780 3.113488 -0.362157
H 8.246726 -0.696764 2.307609
H 6.960821 -1.920623 2.293418


