%chk=000079885.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079885

0 1
 O   0.5816000     -0.7473000     -0.3136000    
 N   -1.790300     -0.8298000      0.1459000    
 N  -0.5812000       1.303600      0.2757000    
 C    1.853100     -0.1818000     -1.9500000E-02
 C  -0.4926000     -0.1751000      0.4636000    
 C    1.859400      0.2672000       1.441100    
 C    2.903600      -1.265300     -0.2532000    
 C    2.086400       1.003600     -0.9549000    
 C   -2.175000     -0.6770000      -1.258900    
 C   -1.790500      -2.243700      0.5202000    
 C   -1.654300       1.887900       1.086400    
 C  -0.8002000       1.657600      -1.133000    
 H  -0.3494000     -0.3862000       1.528000    
 H    1.588800     -0.5445000       2.127300    
 H    2.888400      0.5416000       1.714000    
 H    1.283700       1.160400       1.690300    
 H    2.874200      -1.616600      -1.291000    
 H    2.704800      -2.141100      0.3752000    
 H    3.915500     -0.9074000     -3.7200000E-02
 H    1.661900       1.943200     -0.5998000    
 H    3.162700       1.211400      -1.020400    
 H    1.748800      0.7977000      -1.974800    
 H   -2.761300      0.2218000      -1.442800    
 H   -2.901400      -1.461100      -1.519800    
 H   -1.359100     -0.8203000      -1.973100    
 H   -1.532100      -2.364900       1.578100    
 H   -1.083400      -2.831000     -7.6300003E-02
 H   -2.789500      -2.677200      0.3977000    
 H   -1.626900       2.981000       1.008400    
 H   -1.503900       1.650300       2.145500    
 H   -2.658200       1.556900      0.7989000    
 H  -0.3106000       2.627800      -1.296100    
 H   -1.840700       1.878800      -1.388400    
 H  -0.3609000      0.9953000      -1.879200    


%chk=000079885-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079885

0 1
O 0.504915 -0.432608 -0.454884
N -1.736886 -0.799394 0.337220
N -0.936878 1.487080 -0.198450
C 1.914423 -0.195455 0.011086
C -0.618626 0.155628 0.320195
C 2.123190 -0.798791 1.422187
C 2.743487 -0.971644 -1.030429
C 2.265588 1.309273 -0.008705
C -2.316831 -1.154208 -0.975208
C -1.490583 -1.981387 1.187167
C -1.961808 2.217844 0.554306
C -0.878655 1.774238 -1.636763
H -0.318319 0.277025 1.384194
H 1.741599 -1.834684 1.451699
H 3.200456 -0.815979 1.669194
H 1.613808 -0.211798 2.207922
H 2.525377 -0.594324 -2.044656
H 2.492067 -2.046400 -1.000917
H 3.824596 -0.853009 -0.833732
H 1.556579 1.887829 0.607613
H 3.291067 1.466659 0.376133
H 2.214156 1.705815 -1.038010
H -2.590536 -0.241064 -1.526137
H -3.239792 -1.740213 -0.810389
H -1.627057 -1.755448 -1.609120
H -1.117063 -1.658051 2.176288
H -0.747080 -2.688016 0.750108
H -2.439841 -2.526501 1.342629
H -1.874673 3.301487 0.343959
H -1.812933 2.063595 1.639414
H -3.002575 1.897901 0.315452
H -0.512434 2.808275 -1.800237
H -1.864026 1.688518 -2.154207
H -0.173313 1.073613 -2.110621


