%chk=000054706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054706

0 1
 O   -1.606900      0.6128000      -1.053300    
 O   0.5093000      0.3683000     -8.8799998E-02
 O    4.651900      -1.766100      0.8680000    
 N   -3.870000      -1.434800      0.6074000    
 N   -3.604900     -0.2271000     -6.7000002E-02
 N  -0.3607000      -1.789100     -2.0800000E-02
 N    3.043400     -0.4904000     -0.2113000    
 C   -2.658300      -2.115300      0.7341000    
 C   -1.665500      -1.464700      0.1148000    
 C    2.028900      -1.510700     -0.2712000    
 C   -2.258700     -0.2262000     -0.4533000    
 C    2.149400      -2.364500      -1.537500    
 C   0.6592000     -0.8517000     -0.1298000    
 C   -4.474700      0.8913000     -3.2900002E-02
 C   -2.578000      -3.425500       1.442500    
 C   -5.100900      -2.151700      0.2885000    
 C    1.976600      -1.585000      -2.836100    
 C   -4.295300       1.951200     -0.9275000    
 C   -5.519600      0.9430000      0.8950000    
 C    4.289200     -0.7072000      0.3622000    
 C   -5.152000       3.051500     -0.8944000    
 C   -6.376400       2.043100      0.9280000    
 C    5.215000      0.4547000      0.3687000    
 C   -6.192500       3.097400      3.3300001E-02
 C    6.574800      0.2230000      0.3768000    
 C    4.685100       1.728200      0.3668000    
 C    7.443900       1.314100      0.3832000    
 C    5.554100       2.819300      0.3731000    
 C    6.933500       2.612200      0.3813000    
 H    2.160800      -2.166900      0.5990000    
 H    1.411000      -3.174700      -1.519700    
 H    3.135500      -2.845400      -1.555500    
 H  -0.1000000      -2.749900      0.1848000    
 H   -3.139300      -4.193400      0.9010000    
 H   -1.547300      -3.777600       1.546300    
 H   -2.996100      -3.337100       2.450600    
 H   -5.396900      -2.783300       1.132900    
 H   -4.950800      -2.795000     -0.5865000    
 H   -5.944000      -1.495800      5.9500001E-02
 H    2.838400      0.3879000     -0.6762000    
 H    2.733600     -0.8011000      -2.935600    
 H   0.9876000      -1.120300      -2.894800    
 H    2.080100      -2.258900      -3.692800    
 H   -3.515900       1.940500      -1.682500    
 H   -5.674100      0.1620000       1.634000    
 H   -5.013000       3.869900      -1.594800    
 H   -7.181600       2.083400       1.655800    
 H   -6.859300       3.954200      5.9500001E-02
 H    6.987400     -0.7814000      0.3731000    
 H    3.619700       1.931500      0.3953000    
 H    8.518000       1.153000      0.3887000    
 H    5.157300       3.830300      0.3796000    
 H    7.610100       3.461700      0.3879000    


%chk=000054706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054706

0 1
O -2.670935 -0.885713 -2.250808
O 1.054519 -0.041562 1.148182
O 4.522492 -1.273196 -2.013141
N -3.644573 -0.351376 1.133267
N -3.971894 -0.624368 -0.235409
N -0.405580 -0.579239 -0.604687
N 3.237639 -0.356750 -0.316510
C -2.225331 -0.369222 1.246560
C -1.689213 -0.552258 -0.022468
C 1.997515 -0.441992 -1.090845
C -2.778223 -0.727416 -0.991750
C 1.910012 0.654957 -2.201217
C 0.839086 -0.338899 -0.073033
C -5.280459 -0.365463 -0.749404
C -1.609734 -0.231819 2.608710
C -4.472537 -1.059945 2.141438
C 1.896568 2.095389 -1.653906
C -5.713266 -1.070124 -1.900791
C -6.123125 0.596860 -0.136116
C 4.440674 -0.792335 -0.833068
C -6.995892 -0.810342 -2.427153
C -7.410804 0.830406 -0.663995
C 5.648462 -0.682900 0.064752
C -7.854230 0.129054 -1.809123
C 6.817726 -1.379229 -0.334604
C 5.673762 0.084229 1.259481
C 7.987186 -1.325268 0.451229
C 6.846275 0.140812 2.044499
C 8.004265 -0.566633 1.645727
H 1.966649 -1.428733 -1.598014
H 1.007618 0.471982 -2.818661
H 2.781198 0.498748 -2.862127
H -0.470505 -0.771560 -1.616598
H -1.759426 -1.145087 3.216972
H -0.527666 -0.067395 2.497835
H -2.053441 0.618403 3.158661
H -4.213174 -0.669571 3.136826
H -4.301133 -2.154255 2.116602
H -5.537385 -0.858068 1.952712
H 3.111065 -0.101333 0.669541
H 2.793686 2.289260 -1.039083
H 1.005240 2.290176 -1.028929
H 1.891602 2.823127 -2.484783
H -5.042292 -1.787880 -2.378539
H -5.755495 1.175042 0.718018
H -7.326385 -1.349863 -3.321237
H -8.060122 1.574259 -0.189342
H -8.851758 0.318414 -2.219450
H 6.778920 -1.949027 -1.268872
H 4.798760 0.662860 1.578480
H 8.883387 -1.870304 0.134939
H 6.858734 0.740014 2.961675
H 8.912642 -0.521168 2.256955


