%chk=000056513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056513

0 1
 O   -1.155300      0.4246000     -0.1977000    
 O   0.5747000      -1.824000      -2.400400    
 O   -1.472500     -0.1451000      -2.406900    
 N   -4.851900       2.139000      0.7592000    
 C   -2.237600       1.343400     -0.2761000    
 C   -2.402100       2.033600       1.074200    
 C   -3.520400      0.6079000     -0.6532000    
 C   -3.650400       2.914600       1.100000    
 C   -4.734400       1.533000     -0.5748000    
 C   -6.044200       2.983100      0.8345000    
 C  -0.8695000     -0.2671000      -1.346900    
 C   0.3036000      -1.221800      -1.131600    
 C  -9.1899998E-02  -2.324500     -0.1515000    
 C    1.510000     -0.4657000     -0.7368000    
 C   0.8967000      -2.946900      0.5780000    
 C   -1.423100      -2.656900     -3.1700000E-02
 C   0.5356000      -3.953700       1.473200    
 C   -1.784100      -3.663800      0.8637000    
 C  -0.8047000      -4.312200       1.616100    
 C    2.490600      0.1533000     -0.4217000    
 C    3.654100      0.8900000     -3.6899999E-02
 C    4.026500      0.9525000       1.305500    
 C    4.415200       1.545200      -1.004300    
 C    5.161400       1.671100       1.680900    
 C    5.550300       2.263800     -0.6287000    
 C    5.923300       2.326700      0.7139000    
 H   -2.002100       2.103600      -1.032900    
 H   -1.511300       2.634300       1.294000    
 H   -2.456000       1.280700       1.872200    
 H   -3.665200     -0.2472000      2.0800000E-02
 H   -3.507700      0.1885000      -1.660700    
 H   -3.520500       3.757900      0.4089000    
 H   -3.752500       3.332800       2.108800    
 H   -5.631300      0.9396000     -0.7904000    
 H   -4.660100       2.306100      -1.351000    
 H   -6.160800       3.395200       1.843000    
 H   -6.945700       2.394800      0.6305000    
 H   -6.007400       3.816200      0.1234000    
 H    1.949500      -2.706500      0.4746000    
 H   -2.210200      -2.202900     -0.6228000    
 H  -9.4800003E-02  -2.508300      -2.571600    
 H    1.298400      -4.462600       2.055400    
 H   -2.826900      -3.949000      0.9693000    
 H   -1.085600      -5.098200       2.311000    
 H    3.442800      0.4464000       2.070800    
 H    4.137200       1.505400      -2.054800    
 H    5.452100       1.720200       2.726300    
 H    6.143700       2.774400      -1.381600    
 H    6.807000       2.886200       1.006300    


%chk=000056513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056513

0 1
O -1.268110 0.237450 -0.261286
O 0.602450 -1.880539 -2.595416
O -1.356116 -0.065847 -2.573230
N -4.725793 2.344012 1.053083
C -2.411212 1.225920 -0.304879
C -2.247065 2.127367 0.920752
C -3.749528 0.473589 -0.275600
C -3.449072 3.094274 1.008154
C -4.902435 1.493942 -0.148127
C -5.886402 3.222866 1.294527
C -0.866957 -0.315574 -1.441806
C 0.335266 -1.316653 -1.269452
C -0.073636 -2.458822 -0.313218
C 1.501909 -0.544848 -0.792135
C 0.118917 -2.347416 1.083703
C -0.689008 -3.614384 -0.848164
C -0.304970 -3.386199 1.941138
C -1.112046 -4.652457 0.011831
C -0.924045 -4.541304 1.408774
C 2.489662 0.110253 -0.443870
C 3.647143 0.867012 -0.059257
C 3.703647 1.524267 1.204288
C 4.761285 0.973550 -0.942437
C 4.844181 2.268010 1.570473
C 5.897547 1.719562 -0.568715
C 5.944973 2.369877 0.687210
H -2.312803 1.798501 -1.247945
H -1.302565 2.697458 0.856331
H -2.215739 1.500720 1.830011
H -3.763886 -0.204508 0.596484
H -3.877186 -0.125311 -1.194879
H -3.420430 3.803902 0.137486
H -3.365449 3.702773 1.927052
H -5.862418 0.953510 -0.059259
H -4.956458 2.112852 -1.083905
H -5.741298 3.780111 2.237259
H -6.800646 2.611575 1.397744
H -6.059367 3.967379 0.476046
H 0.601569 -1.454799 1.494809
H -0.800419 -3.700994 -1.932578
H 0.140966 -1.290662 -3.257731
H -0.148841 -3.296815 3.022104
H -1.580518 -5.549199 -0.409194
H -1.249631 -5.348178 2.075127
H 2.850707 1.444343 1.886736
H 4.722246 0.466845 -1.912319
H 4.876455 2.768339 2.544726
H 6.747783 1.793642 -1.255723
H 6.829844 2.948309 0.974780


