%chk=000080666.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080666

0 1
 S    3.299400      0.9560000      0.3229000    
 S   -3.292800     -0.9671000     -0.2509000    
 N    5.536000      0.4249000     -0.9656000    
 N   -5.900900     -0.5932000     -0.2016000    
 N    4.920000      -1.123900      0.7077000    
 N   -4.580600       1.299300      0.3022000    
 C   0.5942000      0.4720000      0.1463000    
 C  -0.5877000     -0.4695000     -0.1194000    
 C    1.949400     -0.2113000     -1.8400000E-02
 C   -1.943500      0.2060000      7.2999999E-02
 C    4.716500     -4.4799998E-02  2.1900000E-02
 C   -4.710000      5.1600002E-02 -1.7899999E-02
 H   0.5228000       1.326300     -0.5394000    
 H   0.5020000      0.8693000       1.165500    
 H  -0.5056000     -0.8536000      -1.144400    
 H  -0.5058000      -1.332100      0.5545000    
 H    2.022500      -1.060300      0.6687000    
 H    2.059700     -0.5903000      -1.039800    
 H   -2.030800      0.5792000       1.098900    
 H   -2.031100       1.055000     -0.6132000    
 H    6.383000     -6.8200000E-02  -1.226300    
 H    5.320200       1.279400      -1.467400    
 H   -6.786100     -0.1102000     -9.3199998E-02
 H   -5.934300      -1.575700     -0.4508000    
 H    4.162000      -1.236600       1.388800    
 H   -5.513600       1.716200      0.3921000    


%chk=000080666-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080666

0 1
S 3.306217 1.052484 0.149053
S -3.367836 -1.068013 0.131898
N 5.876239 0.682778 -0.581345
N -6.013977 -0.645930 -0.058616
N 4.832035 -1.377803 -0.180847
N -4.622020 1.356338 -0.132373
C 0.554196 0.493467 0.138843
C -0.620436 -0.517180 0.099069
C 1.912517 -0.225112 0.059932
C -1.972873 0.210587 0.166670
C 4.775438 -0.078402 -0.230796
C -4.817922 0.069784 -0.042470
H 0.462548 1.205535 -0.703851
H 0.499840 1.087961 1.071851
H -0.565368 -1.116679 -0.830938
H -0.527880 -1.224781 0.947137
H 2.031509 -0.925198 0.906382
H 2.021585 -0.774587 -0.891215
H -2.090295 0.796244 1.092393
H -2.141359 0.882447 -0.689408
H 6.756939 0.195996 -0.738246
H 5.790380 1.668987 -0.811049
H -6.900926 -0.156276 -0.157465
H -6.026495 -1.660493 0.030531
H 3.995377 -1.862129 0.178069
H -5.482535 1.928374 -0.229010


