%chk=000053040.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053040

0 1
 O   -3.137500       1.767500       1.074300    
 O    1.766700     -0.9674000      -2.210000    
 O   7.9099998E-02 -0.4695000       2.455100    
 O    1.935500      0.8193000       2.238100    
 N   -1.330300      0.1931000      -1.428100    
 N   -2.400300      0.1686000     -0.5221000    
 N    1.774200       1.144100      -1.248000    
 C   -1.176800       2.122500     -0.2375000    
 C  -0.6030000       1.356100      -1.179200    
 C  -0.8126000       3.434600      0.3440000    
 C   -2.392200       1.369200      0.1932000    
 C   0.6375000       1.659500      -1.951200    
 C  -0.5427000       3.324700       1.849000    
 C   -1.905900       4.473800      7.7000000E-02
 C   -3.117000      -1.008600     -0.1918000    
 C   -1.565000     -0.2654000      -2.794000    
 C   -4.330500     -0.9242000      0.4981000    
 C   -2.616500      -2.263200     -0.5538000    
 C    2.256200     -0.1488000      -1.436000    
 C    3.428100     -0.5405000     -0.6111000    
 C   -5.036300      -2.082600      0.8229000    
 C   -3.322400      -3.421700     -0.2291000    
 C    3.240300      -1.120400      0.6272000    
 C   -4.532300      -3.331300      0.4593000    
 C    4.687200     -0.3033000      -1.126800    
 C    1.878800      -1.376600       1.186800    
 C    4.357600      -1.478500       1.381700    
 C    5.804400     -0.6614000     -0.3719000    
 C    5.639500      -1.248800      0.8822000    
 C    1.336100     -0.2206000       2.001700    
 H   0.1089000       3.798900     -0.1255000    
 H   0.7825000       2.739700      -2.055500    
 H   0.6106000       1.248100      -2.964500    
 H   0.2381000       2.591800       2.055200    
 H   -1.433100       3.043800       2.419600    
 H  -0.1974000       4.288100       2.241000    
 H   -2.836100       4.253300      0.6100000    
 H   -2.134300       4.539000     -0.9928000    
 H   -1.572400       5.465400      0.4032000    
 H   -2.381100     -0.9892000      -2.872000    
 H   -1.831900      0.5776000      -3.442200    
 H  -0.6672000     -0.7420000      -3.197700    
 H    2.230900       1.746000     -0.5683000    
 H   -4.770600      2.8700000E-02  0.7734000    
 H   -1.662500      -2.378100      -1.060600    
 H   -5.981500      -2.012600       1.353300    
 H   -2.926700      -4.394700     -0.5053000    
 H   -5.081700      -4.233300      0.7124000    
 H    4.822900      0.1538000      -2.102600    
 H    1.161900      -1.612300      0.3928000    
 H    1.912100      -2.256400       1.842100    
 H    4.245000      -1.934600       2.361800    
 H    6.802600     -0.4824000     -0.7607000    
 H    6.509400      -1.526700       1.470200    
 H  -0.2753000      0.2788000       2.981000    


%chk=000053040-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053040

0 1
O -3.707128 1.716363 0.828321
O 2.134576 -0.265840 -2.767274
O 2.005080 -0.079603 3.620028
O 2.109279 1.467655 1.904425
N -1.215131 0.217361 -1.242275
N -2.489609 0.206330 -0.585342
N 1.772637 1.148436 -0.951396
C -1.514540 2.269430 -0.218744
C -0.679864 1.512262 -1.024182
C -1.291592 3.652578 0.357096
C -2.704942 1.460632 0.091564
C 0.667592 1.877163 -1.605079
C -1.147110 3.587656 1.903577
C -2.437568 4.617227 -0.052703
C -3.150817 -1.027319 -0.310553
C -1.185231 -0.383497 -2.605795
C -4.549853 -1.021542 -0.070647
C -2.423939 -2.246410 -0.253685
C 2.397009 0.083803 -1.565883
C 3.456356 -0.639022 -0.762574
C -5.208315 -2.234926 0.218396
C -3.101411 -3.453492 0.019153
C 3.277807 -1.111052 0.570885
C -4.495509 -3.456383 0.256233
C 4.670118 -0.918879 -1.444391
C 1.973213 -0.943247 1.360369
C 4.340237 -1.813517 1.196390
C 5.721167 -1.605882 -0.806769
C 5.557532 -2.050970 0.525738
C 2.031975 0.268076 2.277933
H -0.342556 4.054141 -0.053563
H 0.825211 2.960524 -1.473280
H 0.728141 1.651332 -2.684402
H -0.281500 2.964242 2.193578
H -2.061125 3.159833 2.351360
H -0.997250 4.602014 2.317921
H -3.400568 4.251359 0.343059
H -2.521928 4.696129 -1.152109
H -2.251586 5.628325 0.354463
H -1.587272 -1.406605 -2.562514
H -1.790495 0.210937 -3.318157
H -0.136210 -0.433135 -2.941406
H 2.019653 1.416472 0.016596
H -5.093734 -0.074986 -0.091013
H -1.338195 -2.238898 -0.396682
H -6.287198 -2.224136 0.408596
H -2.535111 -4.390839 0.057948
H -5.017197 -4.394945 0.471861
H 4.763804 -0.593755 -2.485395
H 1.113744 -0.801181 0.680306
H 1.785280 -1.836564 1.975401
H 4.200552 -2.187121 2.218030
H 6.655062 -1.800845 -1.344393
H 6.364006 -2.593151 1.031182
H 2.047454 0.738366 4.188095


