%chk=000056622.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056622

0 1
 S    1.981300      -2.083200      0.5872000    
 S    4.718100     -0.7490000      0.5759000    
 N  -0.5553000      -1.664100     -0.1296000    
 N   -1.601700      0.4153000      3.1800002E-02
 N   -2.947900      -1.347600     -0.1100000    
 N    1.057900      2.7600000E-02 -0.5340000    
 N    2.409900      0.2618000     -0.3530000    
 C   -1.697500     -0.9442000     -7.5800002E-02
 C   -2.875000      0.9230000      7.0000000E-02
 C   -3.697000     -0.1970000     -2.0199999E-02
 C   -3.363600       2.226000      0.1724000    
 C   0.7517000      -1.139200     -8.5800000E-02
 C   -5.091600     -2.5699999E-02 -9.1000004E-03
 C  -0.6748000      -3.126300     -0.3670000    
 C    6.673200       1.135300      0.1591000    
 C    5.182700      0.8890000     -4.5899998E-02
 C   -4.754000       2.378000      0.1821000    
 C   -5.604400       1.273500      9.3099996E-02
 C    3.009100     -0.7593000      0.2213000    
 C    7.078700       2.506200     -0.3623000    
 H  -0.7529000      0.9623000      7.9000004E-02
 H   -2.701400       3.081600      0.2413000    
 H   -5.760800     -0.8773000     -7.7799998E-02
 H   6.8499997E-02  -3.478000      -1.092500    
 H   -1.652600      -3.391600     -0.7867000    
 H  -0.5607000      -3.675700      0.5740000    
 H    6.927600       1.074600       1.224300    
 H    7.262300      0.3720000     -0.3638000    
 H    4.604400       1.653600      0.4843000    
 H    4.939900      0.9519000      -1.112400    
 H   -5.180000       3.375300      0.2605000    
 H   -6.681000       1.423500      0.1031000    
 H    6.536400       3.300900      0.1599000    
 H    8.150100       2.668300     -0.2082000    
 H    6.872400       2.595300      -1.433700    


%chk=000056622-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056622

0 1
S 2.149150 -2.409058 -0.068750
S 4.920516 -0.916722 -0.087313
N -0.591520 -1.775842 -0.049896
N -1.599637 0.463541 -0.042128
N -2.985958 -1.367785 -0.034483
N 1.014573 0.027982 -0.059961
N 2.397859 0.268350 -0.069281
C -1.715816 -0.922560 -0.042342
C -2.906899 0.973758 -0.033737
C -3.762124 -0.185766 -0.028949
C -3.416186 2.287015 -0.029930
C 0.695944 -1.280327 -0.058276
C -5.165875 -0.026975 -0.019956
C -0.834849 -3.237152 -0.048447
C 6.820138 1.154531 -0.093553
C 5.296670 0.957368 -0.084592
C -4.822291 2.423902 -0.020901
C -5.681701 1.286600 -0.015984
C 3.128199 -0.838959 -0.074820
C 7.175267 2.659851 -0.090476
H -0.671165 0.919894 -0.048490
H -2.761207 3.164119 -0.033514
H -5.822453 -0.902181 -0.016150
H -0.403964 -3.699852 -0.954253
H -1.925107 -3.382418 -0.041386
H -0.392266 -3.699992 0.851630
H 7.268728 0.665137 0.792150
H 7.257438 0.671357 -0.988273
H 4.819976 1.376672 0.815854
H 4.808853 1.381678 -0.976672
H -5.262524 3.427142 -0.017634
H -6.766547 1.439183 -0.008948
H 6.773713 3.163639 0.807935
H 8.270799 2.800524 -0.096992
H 6.762267 3.170146 -0.979983


