%chk=000083614.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083614

0 1
 S   -3.109300       2.013900      0.7417000    
 S    2.598300      -1.841900       1.138200    
 O    7.060600      0.3517000      0.1165000    
 N    4.302800     -0.1229000      5.6699999E-02
 N   -2.588200     -0.9733000      5.6100000E-02
 C    4.992200      0.3156000      -1.148900    
 C    4.959600      0.1980000       1.316300    
 C    2.189800     -0.2562000      -1.137000    
 C    6.454000     -0.1072000      -1.096800    
 C    6.422200     -0.2213000       1.262900    
 C    3.078700     -0.7017000      1.3000000E-02
 C   0.8765000      0.2851000     -0.6810000    
 C   -1.475600     -0.1062000     -8.7800004E-02
 C  -0.2170000     -0.5715000     -0.5277000    
 C   -1.592300       1.273800      0.1707000    
 C   -3.946300     -0.5666000      4.0199999E-02
 C   0.7421000       1.637100     -0.4041000    
 C   -4.307900      0.7679000      0.3115000    
 C  -0.4875000       2.130600      1.9300001E-02
 C   -2.314800      -2.412400      0.1620000    
 C   -4.991100      -1.460800     -0.2804000    
 C   -5.656000       1.167700      0.2872000    
 C   -6.328800      -1.057100     -0.3081000    
 C   -6.661800      0.2577000     -2.0600000E-02
 H    4.910100       1.407700      -1.188000    
 H    4.551400     -0.1130000      -2.053300    
 H    4.469300     -0.2215000       2.196900    
 H    4.900500       1.289800       1.412000    
 H    2.644400      0.5172000      -1.762200    
 H    2.034300      -1.116100      -1.802800    
 H    6.557800      -1.197100      -1.159500    
 H    7.004000      0.3308000      -1.935600    
 H    6.949000      0.1363000       2.153000    
 H    6.525400      -1.312200       1.226200    
 H  -8.3099999E-02  -1.618200     -0.7926000    
 H    1.582700       2.316900     -0.5117000    
 H  -0.5737000       3.194500      0.2313000    
 H   -2.278600      -2.874200     -0.8308000    
 H   -3.067400      -2.930500      0.7683000    
 H   -1.371500      -2.614400      0.6836000    
 H   -4.786100      -2.496500     -0.5411000    
 H   -5.937100       2.195500      0.5080000    
 H   -7.105600      -1.773100     -0.5604000    
 H   -7.699500      0.5763000     -3.9900001E-02


%chk=000083614-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083614

0 1
S -2.731195 2.414019 -0.162061
S 2.857596 -3.112984 -0.786082
O 6.044651 0.600060 1.247474
N 3.728085 -0.659119 0.046815
N -2.018986 -0.513581 0.508580
C 3.881260 0.818820 0.041579
C 4.413224 -1.281927 1.208066
C 2.327042 -0.643874 -2.013134
C 5.379844 1.190334 0.078433
C 5.895737 -0.867666 1.223069
C 3.024637 -1.395878 -0.874584
C 1.068570 0.113846 -1.573419
C -1.073212 0.133423 -0.338470
C 0.110151 -0.529653 -0.754202
C -1.293330 1.466379 -0.791567
C -3.418893 -0.274879 0.361622
C 0.822468 1.431309 -2.022548
C -3.906077 1.011441 -0.005903
C -0.368037 2.095109 -1.643691
C -1.589178 -1.713760 1.245387
C -4.369645 -1.310602 0.574096
C -5.283735 1.250101 -0.169980
C -5.753985 -1.060390 0.448660
C -6.219848 0.217471 0.072423
H 3.382238 1.222947 0.944591
H 3.392711 1.263255 -0.836138
H 4.300735 -2.376823 1.123938
H 3.916067 -0.935576 2.135543
H 3.024090 0.051691 -2.519960
H 2.052993 -1.413061 -2.754544
H 5.876339 0.847716 -0.855758
H 5.505743 2.280509 0.183422
H 6.391782 -1.228476 2.138299
H 6.412548 -1.284323 0.332433
H 0.295553 -1.565842 -0.454853
H 1.542060 1.937790 -2.676841
H -0.568119 3.113053 -1.994688
H -1.610237 -2.638956 0.632111
H -2.245640 -1.854488 2.119500
H -0.560059 -1.566232 1.611264
H -4.030358 -2.319223 0.825946
H -5.623317 2.247433 -0.469474
H -6.464327 -1.874045 0.631262
H -7.291446 0.412852 -0.035313


