%chk=000082679.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082679

2 1
 S   0.3305000      -1.592600      0.9616000    
 S  -0.3412000      -1.570800     -0.9802000    
 N    3.816000      0.3819000     -9.3099996E-02
 N   -3.791800      0.3592000      9.6600004E-02
 C    2.736800     -0.6911000     -8.6900003E-02
 C   -2.742400     -0.6888000      7.5499997E-02
 C    4.367400      0.5551000       1.314900    
 C    4.940300     -3.5200000E-02  -1.030400    
 C    3.220100       1.698500     -0.5700000    
 C   -4.365100      0.5863000      -1.309400    
 C   -4.947700     -4.4399999E-02   1.022900    
 C   -3.221700       1.693000      0.5996000    
 C    1.641800     -0.3342000      0.9050000    
 C   -1.643100     -0.3169000     -0.9060000    
 H    2.375400     -0.7690000      -1.117100    
 H    3.222500      -1.636800      0.1846000    
 H   -2.378900     -0.7918000       1.102900    
 H   -3.221100      -1.632800     -0.2144000    
 H    4.628400     -0.4291000       1.714900    
 H    5.264100       1.180200       1.251000    
 H    3.634600       1.063600       1.946400    
 H    4.524500     -0.1603000      -2.034600    
 H    5.704900      0.7473000      -1.029900    
 H    5.360700     -0.9781000     -0.6684000    
 H    2.697900       1.526100      -1.515700    
 H    2.543800       2.102200      0.1869000    
 H    4.041800       2.406000     -0.7210000    
 H   -4.638800     -0.3845000      -1.732500    
 H   -5.253300       1.219500      -1.215100    
 H   -3.630500       1.103400      -1.931600    
 H   -4.543100     -0.1859000       2.029300    
 H   -5.697400      0.7522000       1.018800    
 H   -5.376400     -0.9773000      0.6452000    
 H   -2.709900       1.513200       1.549500    
 H   -2.540000       2.110600     -0.1447000    
 H   -4.056700       2.385600      0.7456000    
 H    2.020400     -0.2864000       1.928700    
 H    1.155400      0.6192000      0.6868000    
 H   -2.018600     -0.2486000      -1.929700    
 H   -1.156300      0.6321000     -0.6693000    


%chk=000082679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082679

2 1
S 0.469043 -0.705200 1.032358
S -0.473614 -0.688033 -1.046795
N 4.473101 0.251225 -0.085047
N -4.475350 0.257523 0.088567
C 3.086328 -0.438808 0.070243
C -3.089955 -0.432264 -0.079105
C 5.077096 0.577666 1.282379
C 5.399382 -0.733673 -0.810445
C 4.359329 1.529217 -0.916287
C -5.077712 0.612152 -1.272457
C -5.404258 -0.739402 0.793981
C -4.359225 1.518685 0.944941
C 1.995149 0.399904 0.755042
C -1.998017 0.415060 -0.751913
H 2.769338 -0.716869 -0.950617
H 3.268772 -1.364452 0.643129
H -2.772371 -0.726826 0.936926
H -3.274551 -1.348498 -0.666298
H 5.117597 -0.340290 1.888522
H 6.095602 0.968146 1.135309
H 4.466788 1.340148 1.787474
H 4.980069 -0.962334 -1.802064
H 6.392842 -0.273870 -0.924240
H 5.483296 -1.656458 -0.216445
H 3.896931 1.289500 -1.886069
H 3.750376 2.268680 -0.376458
H 5.368503 1.937716 -1.078437
H -5.117642 -0.293143 -1.897439
H -6.096265 0.999770 -1.118450
H -4.466666 1.384711 -1.761052
H -4.985138 -0.989875 1.780382
H -6.396254 -0.279031 0.917835
H -5.491276 -1.649298 0.180873
H -3.900374 1.258405 1.911145
H -3.745958 2.266207 0.421296
H -5.367382 1.927635 1.112270
H 2.265794 0.713163 1.778485
H 1.677994 1.276832 0.171366
H -2.268834 0.743633 -1.770482
H -1.679184 1.282946 -0.155723


