%chk=000080174.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080174

0 1
 O    4.036700      0.6771000     -0.8311000    
 N    2.894600       1.292400       1.665600    
 C   -1.108800      -1.282800      0.4082000    
 C   -2.441300       1.045400     -0.1953000    
 C   -2.131700     -0.1456000      0.7705000    
 C   0.2976000     -0.7450000      7.5300001E-02
 C  -0.9536000      -2.172000       1.676200    
 C   -1.694000      -2.209600     -0.6782000    
 C   -3.411400       1.995400      0.5499000    
 C   -3.171000      0.5767000      -1.469200    
 C   -1.206000       1.861800     -0.5938000    
 C   0.9383000      1.7600000E-02   1.016300    
 C   0.8365000      -1.056300      -1.145400    
 C    2.210300      0.5041000      0.7148000    
 C    2.108500     -0.5698000      -1.447000    
 C    2.795400      0.2104000     -0.5168000    
 H   -3.088700     -0.6309000       1.015600    
 H   -1.805600      0.3036000       1.720300    
 H   -1.903700      -2.657900       1.929700    
 H  -0.6462000      -1.604500       2.561200    
 H  -0.2108000      -2.964100       1.519500    
 H   -2.701000      -2.544400     -0.4007000    
 H   -1.776500      -1.740300      -1.659100    
 H   -1.088000      -3.116000     -0.8025000    
 H   -2.953000       2.389100       1.464300    
 H   -4.333800       1.476100      0.8342000    
 H   -3.692700       2.852800     -7.2400004E-02
 H   -3.966000     -0.1397000      -1.236600    
 H   -3.633900       1.423000      -1.991000    
 H   -2.484100      0.1200000      -2.185700    
 H   -1.506800       2.781600      -1.111600    
 H  -0.6291000       2.173200      0.2819000    
 H  -0.5597000       1.331100      -1.294400    
 H   0.4898000      0.2584000       1.974700    
 H   0.3510000      -1.657200      -1.902800    
 H    2.552700     -0.8060000      -2.410300    
 H    2.463300       1.502700       2.555800    
 H    3.816700       1.649200       1.452700    
 H    4.274300      0.3725000      -1.723700    


%chk=000080174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080174

0 1
O 4.336215 0.728118 -0.401296
N 2.996000 1.251669 1.874985
C -1.088969 -1.247553 0.293438
C -2.614339 1.003498 -0.229582
C -2.077935 -0.107628 0.743194
C 0.347712 -0.717704 0.041274
C -1.013312 -2.252521 1.491572
C -1.638683 -2.039812 -0.920542
C -3.190119 2.133097 0.676009
C -3.780641 0.484551 -1.118382
C -1.510642 1.619042 -1.128720
C 1.007343 0.032415 1.052336
C 1.061279 -0.996742 -1.149839
C 2.331615 0.511557 0.899412
C 2.387624 -0.529438 -1.325966
C 3.014549 0.217030 -0.318362
H -2.970453 -0.611483 1.173865
H -1.595334 0.414902 1.594053
H -2.001658 -2.717293 1.670885
H -0.699299 -1.748582 2.423743
H -0.283002 -3.054748 1.279885
H -2.678347 -2.357514 -0.722198
H -1.638405 -1.445183 -1.850268
H -1.037325 -2.950792 -1.099645
H -2.390535 2.603395 1.279364
H -3.955245 1.737412 1.371807
H -3.663744 2.923605 0.063367
H -4.591043 0.057540 -0.496256
H -4.210269 1.319090 -1.705506
H -3.456160 -0.290784 -1.831712
H -1.926275 2.467970 -1.705633
H -0.662476 1.992608 -0.527230
H -1.103054 0.886687 -1.847092
H 0.489392 0.257898 1.993052
H 0.601526 -1.575181 -1.954631
H 2.926175 -0.752498 -2.257200
H 2.550431 1.476289 2.758196
H 3.948122 1.558026 1.695855
H 4.747585 0.491156 -1.267132


