%chk=000066571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066571

0 1
 O    4.537000       1.794400     -0.2959000    
 O    1.385000      -2.079300     -0.1334000    
 O   -2.774400       1.538600     -0.3301000    
 O   -3.533600      -2.469000     -0.2985000    
 O   -4.291400     -0.4095000     -0.3561000    
 N    1.959000      0.6844000     -0.1504000    
 N   -3.344100      -1.229600     -0.3115000    
 C    2.873000      0.3003000      -1.235000    
 C    2.244600       1.979000      0.4776000    
 C   0.6462000      0.2036000     -0.1916000    
 C    4.316600      0.4677000     -0.7744000    
 C    3.722200       2.058200      0.8457000    
 C   0.3635000      -1.178100     -0.1831000    
 C  -0.4414000       1.099200     -0.2424000    
 C   -1.755600      0.6336000     -0.2832000    
 C  -0.9508000      -1.643700     -0.2240000    
 C   -2.010300     -0.7378000     -0.2740000    
 C    1.410300      -2.968100      0.9813000    
 C   -2.875100       2.456200      0.7564000    
 C    2.846200      -3.343200       1.280100    
 C   -4.326800       2.842800      0.9424000    
 H    2.683900      0.9610000      -2.090700    
 H    2.729400     -0.7269000      -1.581300    
 H    1.648300       2.120300       1.386700    
 H    2.004600       2.783300     -0.2287000    
 H    4.570600     -0.2522000      1.3200000E-02
 H    4.998200      0.2962000      -1.613500    
 H    3.963700       3.062800       1.207200    
 H    3.973100       1.348900       1.643700    
 H  -0.2661000       2.172000     -0.2745000    
 H   -1.124700      -2.717000     -0.2258000    
 H   0.9683000      -2.498700       1.869000    
 H   0.8359000      -3.867200      0.7335000    
 H   -2.498400       2.010600       1.685500    
 H   -2.281300       3.347200      0.5255000    
 H    2.902300      -4.035600       2.124800    
 H    3.312200      -3.811600      0.4070000    
 H    3.435900      -2.450700       1.514500    
 H   -4.435800       3.572400       1.749800    
 H   -4.733700       3.272000      2.0900000E-02
 H   -4.934300       1.963700       1.180100    


%chk=000066571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066571

0 1
O 4.505671 2.098341 -0.085243
O 1.622968 -1.984551 0.208786
O -2.985031 1.297960 0.349413
O -3.241115 -2.928773 0.430217
O -4.367597 -0.950733 0.572276
N 1.903675 0.824423 0.084118
N -3.269543 -1.622030 0.452260
C 2.948672 0.324437 -0.853422
C 2.063062 2.262915 0.393330
C 0.630588 0.234800 0.135432
C 4.350041 0.651117 -0.319649
C 3.498128 2.538488 0.886522
C 0.454924 -1.198340 0.191850
C -0.542067 1.036273 0.195884
C -1.848948 0.499904 0.304889
C -0.829956 -1.738611 0.278121
C -1.989269 -0.922195 0.340912
C 1.461353 -3.443799 0.395387
C -2.821231 2.770485 0.316707
C 2.862846 -4.045167 0.445096
C -4.226284 3.355543 0.422368
H 2.811271 0.816157 -1.842199
H 2.837133 -0.762006 -0.974051
H 1.360495 2.547321 1.196729
H 1.852266 2.892716 -0.501148
H 4.532836 0.096110 0.625244
H 5.121868 0.388160 -1.061041
H 3.658703 3.621621 1.016137
H 3.658946 2.020352 1.856965
H -0.430239 2.117510 0.104978
H -1.004968 -2.815050 0.331548
H 0.907199 -3.626971 1.337902
H 0.872428 -3.858601 -0.447389
H -2.183704 3.088385 1.167298
H -2.329595 3.065387 -0.633207
H 2.795096 -5.137079 0.599955
H 3.405895 -3.863184 -0.498445
H 3.445772 -3.611225 1.275318
H -4.178837 4.459672 0.403773
H -4.852779 3.013651 -0.418134
H -4.708472 3.036785 1.361314


