%chk=000119570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119570

0 1
 S    2.147500      -1.790500      0.2306000    
 N   -2.449300      0.7892000      0.2615000    
 N    3.164500      0.5539000     -0.2003000    
 N    4.726500      -1.220000     -9.9600002E-02
 C   -1.061100      0.7445000     -0.1934000    
 C  -0.3052000       2.006200      0.2822000    
 C  -0.3897000     -0.5500000      0.3215000    
 C    1.146300       2.031900     -0.2337000    
 C    1.089000     -0.4612000      0.1415000    
 C    1.798200      0.7015000     -8.5600004E-02
 C   -3.190900     -0.3614000     -0.2311000    
 C   -4.653900     -0.2824000      0.1923000    
 C    3.463400     -0.7190000     -4.8700001E-02
 C   -5.485200      -1.442800     -0.3372000    
 H   -1.040000      0.7466000      -1.292900    
 H  -0.2974000       2.034500       1.380600    
 H  -0.8181000       2.915400     -5.5100001E-02
 H  -0.7520000      -1.425800     -0.2290000    
 H  -0.6035000     -0.7011000       1.387700    
 H    1.715400       2.797200      0.3054000    
 H    1.149600       2.306400      -1.295400    
 H   -2.888800       1.649100     -6.5600000E-02
 H   -2.802200      -1.299500      0.1768000    
 H   -3.135500     -0.4150000      -1.325300    
 H   -5.096300      0.6545000     -0.1690000    
 H   -4.724300     -0.2665000       1.287000    
 H   -5.471900      -1.465900      -1.431500    
 H   -5.101200      -2.399000      3.1900000E-02
 H   -6.525300      -1.344600     -1.1100000E-02
 H    5.531500     -0.6241000     -0.2624000    
 H    4.914300      -2.209700      2.2200000E-02


%chk=000119570-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119570

0 1
S 2.377516 -1.885312 0.339482
N -2.434499 0.622005 0.277268
N 3.257248 0.589465 -0.242854
N 5.016790 -1.034120 -0.119985
C -1.026636 0.594536 -0.181988
C -0.311490 1.888337 0.277624
C -0.296042 -0.656253 0.392981
C 1.131135 1.983987 -0.273128
C 1.188858 -0.500268 0.204433
C 1.857584 0.670690 -0.096245
C -3.323134 -0.425972 -0.273193
C -4.780036 -0.205054 0.179121
C 3.696748 -0.642374 -0.052204
C -5.742734 -1.275926 -0.376338
H -0.954035 0.538646 -1.299900
H -0.298393 1.901975 1.384503
H -0.893564 2.772221 -0.053394
H -0.661194 -1.571788 -0.110638
H -0.567254 -0.745694 1.464493
H 1.690886 2.783742 0.246611
H 1.121258 2.258152 -1.347495
H -2.843730 1.556877 0.132352
H -2.981812 -1.413777 0.093183
H -3.287811 -0.470626 -1.392974
H -5.116731 0.800401 -0.151206
H -4.808100 -0.199645 1.285394
H -5.742151 -1.279730 -1.482660
H -5.450966 -2.287382 -0.036440
H -6.779326 -1.094156 -0.039620
H 5.715341 -0.325053 -0.329660
H 5.300674 -1.995504 0.036778


