%chk=000148227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148227

0 1
 O   0.7945000      0.8506000     -0.3480000    
 O    3.148400      -2.532500     -0.2972000    
 O    4.354100      5.0700001E-02  0.1014000    
 O   0.4496000      -2.611500      0.7923000    
 O    1.749700       3.418900     -0.2599000    
 O   -1.914800       1.095100       1.570400    
 O   -4.890700     -0.7648000      -1.405900    
 N   -1.165600     -0.3394000     -6.2799998E-02
 N   -3.466100      0.1914000      0.1048000    
 N   -3.704100     -0.6992000      -1.067200    
 C    2.461600      -1.405800      0.2514000    
 C    3.019000     -0.1216000     -0.3654000    
 C   0.9622000      -1.552400     -1.4200000E-02
 C    2.154800       1.082100      2.7300000E-02
 C   0.2194000     -0.2624000      0.3303000    
 C    2.602300       2.364400     -0.6673000    
 C   -2.166300      0.3663000      0.6052000    
 C   -4.607900      0.8700000      0.7049000    
 H    2.661000      -1.426600       1.330400    
 H    3.061800     -0.2299000      -1.455900    
 H   0.8062000      -1.830900      -1.064200    
 H    2.191600       1.254100       1.111600    
 H   0.2534000     -8.2300000E-02   1.412600    
 H    2.529500       2.276600      -1.756400    
 H    3.630300       2.628100     -0.4026000    
 H   -1.378100     -0.8364000     -0.9203000    
 H    2.757900      -3.331000      9.7400002E-02
 H    4.321100      0.1852000       1.063900    
 H  -0.5051000      -2.673700      0.6175000    
 H   0.8400000       3.170500     -0.4978000    
 H   -4.300900       1.489300       1.551700    
 H   -5.323400      0.1220000       1.059300    
 H   -5.078000       1.512000     -4.6200000E-02


%chk=000148227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148227

0 1
O 0.773724 0.900813 -0.398150
O 3.231326 -2.471970 0.028189
O 4.387573 0.153616 0.158643
O 0.493821 -2.629443 0.905802
O 1.804162 3.549892 -0.432870
O -2.132365 0.697401 1.887791
O -4.713553 -0.306772 -1.779644
N -1.219125 -0.312911 -0.032353
N -3.532910 0.203512 0.063444
N -3.557970 -0.309269 -1.239119
C 2.425524 -1.315046 0.427809
C 3.024579 -0.103745 -0.301613
C 0.945084 -1.508171 0.074670
C 2.189312 1.152582 0.003145
C 0.163268 -0.205059 0.375966
C 2.618952 2.388591 -0.788481
C -2.242214 0.232561 0.726522
C -4.745519 0.707476 0.729965
H 2.502759 -1.155995 1.526073
H 3.010240 -0.312122 -1.394091
H 0.847969 -1.745514 -1.007642
H 2.224642 1.373520 1.090922
H 0.191109 0.022055 1.460385
H 2.555535 2.167783 -1.875874
H 3.657302 2.646430 -0.531110
H -1.443941 -0.563538 -1.002685
H 2.858754 -3.274837 0.474255
H 4.883115 -0.704525 0.100804
H -0.456327 -2.827515 0.708113
H 0.853361 3.283581 -0.532279
H -4.452016 1.063796 1.727103
H -5.494422 -0.098946 0.809436
H -5.184349 1.528664 0.137973


