%chk=000050063.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050063

0 1
 O    3.128900      -1.546100     -0.7179000    
 O   -3.521500      0.5725000     -2.3600001E-02
 O   -3.374500      -1.608800      0.6476000    
 N   -6.936100       1.948100      0.2168000    
 N   -1.502300     -0.4224000     -0.1194000    
 C    5.431500       1.359400     -0.1077000    
 C    6.940500       1.506600      0.1067000    
 C    4.984900     -8.7499999E-02 -0.3105000    
 C    7.384200       2.952300      0.3341000    
 C    3.484000     -0.1802000     -0.5522000    
 C    8.896100       3.053200      0.4692000    
 C    1.861800      -1.906200     -0.3387000    
 C   -5.505700       1.923400     -5.0299998E-02
 C   -4.923400      0.5559000      0.2698000    
 C   0.8292000     -0.9794000     -0.4224000    
 C  -0.4601000      -1.346300     -3.6699999E-02
 C    1.623100      -3.194600      0.1253000    
 C  -0.7077000      -2.637300      0.4299000    
 C   0.3338000      -3.561400      0.5109000    
 C   -7.627600      0.9227000     -0.5684000    
 C   -7.495100       3.270300     -7.4900001E-02
 C   -2.844000     -0.5940000      0.2124000    
 H    5.136200       1.955400     -0.9802000    
 H    4.905200       1.782300      0.7570000    
 H    7.463800       1.099900     -0.7678000    
 H    7.242900      0.8970000      0.9673000    
 H    5.253600     -0.6920000      0.5647000    
 H    5.518400     -0.5334000      -1.159000    
 H    6.910100       3.347700       1.239700    
 H    7.056000       3.577400     -0.5043000    
 H    3.215100      0.3736000      -1.459200    
 H    2.978400      0.2680000      0.3132000    
 H    9.396100       2.696700     -0.4371000    
 H    9.254600       2.459500       1.316200    
 H    9.192900       4.093800      0.6336000    
 H   -5.279700       2.183900      -1.093400    
 H   -4.990200       2.671900      0.5654000    
 H   -5.068300      0.3149000       1.329800    
 H   -5.362700     -0.2332000     -0.3480000    
 H   0.9885000      2.3100000E-02 -0.8098000    
 H    2.431600      -3.917200      0.1900000    
 H   -1.678600      -2.993200      0.7459000    
 H   -7.366000      0.9612000      -1.632200    
 H   -8.714300       1.051800     -0.4903000    
 H   -7.438600     -8.3700001E-02 -0.1825000    
 H   -6.999800       4.038700      0.5293000    
 H   -8.558800       3.305600      0.1859000    
 H   -7.388400       3.540000      -1.131900    
 H   0.1423000      -4.567000      0.8742000    
 H   -1.251500      0.4998000     -0.4679000    


%chk=000050063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050063

0 1
O 3.058829 -1.372466 -0.301934
O -3.485064 1.046023 1.033956
O -3.704080 -1.190720 0.306902
N -7.025286 1.665081 -0.151770
N -1.609638 -0.088017 0.505325
C 5.627750 1.404860 0.193694
C 7.167487 1.436177 0.064554
C 5.032145 0.008888 -0.100439
C 7.773411 2.831024 0.340532
C 3.508788 -0.010716 0.040363
C 9.311979 2.854596 0.213662
C 1.683364 -1.646474 -0.260412
C -5.547071 1.637276 -0.221311
C -4.966017 1.148512 1.119677
C 0.697611 -0.703820 0.110449
C -0.672279 -1.086901 0.118475
C 1.313702 -2.966426 -0.622814
C -1.055940 -2.401266 -0.243082
C -0.047179 -3.322287 -0.609100
C -7.640922 0.342547 -0.393357
C -7.637274 2.720735 -0.982244
C -2.987867 -0.194655 0.576948
H 5.189210 2.150694 -0.502210
H 5.342228 1.726455 1.217403
H 7.456736 1.106355 -0.954964
H 7.610148 0.699326 0.766632
H 5.465442 -0.741598 0.588114
H 5.298081 -0.306670 -1.127572
H 7.480327 3.160983 1.358373
H 7.331888 3.565885 -0.363432
H 3.037526 0.721225 -0.649937
H 3.202659 0.233370 1.079960
H 9.630770 2.561604 -0.804429
H 9.779479 2.149410 0.926592
H 9.719622 3.861560 0.418440
H -5.168839 0.984399 -1.044868
H -5.177837 2.660437 -0.415806
H -5.154753 1.879117 1.920156
H -5.375342 0.162653 1.398431
H 0.973550 0.318126 0.392372
H 2.096160 -3.676195 -0.905232
H -2.109683 -2.683430 -0.235213
H -7.525136 -0.002818 -1.451384
H -8.719903 0.387509 -0.160381
H -7.183515 -0.420172 0.258825
H -7.215952 3.704700 -0.710438
H -8.725589 2.753335 -0.792333
H -7.487713 2.568956 -2.081385
H -0.336196 -4.341228 -0.889321
H -1.241017 0.826743 0.774133


