%chk=000058966.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058966

0 1
 O    3.379600       2.145100     -4.3900002E-02
 N   0.9037000      -2.737300     -0.3447000    
 N   -1.990400       1.343500      0.2304000    
 C  -0.2225000      -1.196300      0.7883000    
 C   0.9898000     -0.6115000      0.3264000    
 C    1.677700      -1.599400     -0.3815000    
 C   -1.272400     -0.5305000       1.584900    
 C  -0.2465000      -2.503600      0.3598000    
 C    1.569600      0.6674000      0.4430000    
 C    2.921600      -1.371400     -0.9809000    
 C   -2.256400      8.4299996E-02  0.6105000    
 C    2.813300      0.9100000     -0.1516000    
 C    3.477100     -9.5200002E-02 -0.8521000    
 C   -3.326600     -0.6711000      0.1941000    
 C   -4.210600     -7.7399999E-02 -0.6999000    
 C   -2.871600       1.887300     -0.6388000    
 C   -3.986000       1.225900      -1.129200    
 C    2.650800       3.130100      0.6853000    
 H   -1.780300      -1.237900       2.251800    
 H  -0.8506000      0.2508000       2.228200    
 H  -0.9769000      -3.289600      0.4923000    
 H    1.149900      -3.617700     -0.7758000    
 H    1.012100       1.411400      0.9982000    
 H    3.439000      -2.153400      -1.526500    
 H    4.442800      0.1089000      -1.308600    
 H   -3.492100      -1.686100      0.5367000    
 H   -5.073200     -0.6292000      -1.061300    
 H   -2.651400       2.905300     -0.9429000    
 H   -4.661800       1.708700      -1.825800    
 H    3.246400       4.048900      0.6704000    
 H    2.529800       2.846700       1.736400    
 H    1.694700       3.363100      0.2042000    


%chk=000058966-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058966

0 1
O 2.993234 2.188715 -0.453580
N 1.190295 -3.081985 -0.001343
N -2.095580 1.377512 0.984369
C -0.216723 -1.534623 0.925907
C 0.929550 -0.840948 0.364095
C 1.794594 -1.833084 -0.209230
C -1.386981 -0.895172 1.640749
C -0.019763 -2.895789 0.682686
C 1.290316 0.534168 0.308941
C 3.012485 -1.486301 -0.838374
C -2.205854 0.032171 0.744319
C 2.505228 0.871156 -0.319674
C 3.358377 -0.126133 -0.887988
C -3.028092 -0.478144 -0.293978
C -3.766236 0.415813 -1.097102
C -2.814230 2.233019 0.196663
C -3.661993 1.805079 -0.847900
C 2.171147 3.257309 0.112433
H -2.044088 -1.686781 2.048416
H -1.032025 -0.286825 2.492989
H -0.647906 -3.742735 0.955077
H 1.574537 -3.978764 -0.288203
H 0.623916 1.286228 0.741264
H 3.674232 -2.241923 -1.275885
H 4.287480 0.204818 -1.361733
H -3.070863 -1.558856 -0.466679
H -4.408832 0.040608 -1.901139
H -2.697892 3.299498 0.423802
H -4.216767 2.535122 -1.445757
H 2.717475 4.188373 -0.100707
H 2.049259 3.136141 1.207023
H 1.170300 3.292133 -0.362063


