%chk=000080839.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080839

0 1
 O    1.948600       1.278200      -1.127200    
 O    2.134200     -0.6907000      0.7607000    
 O   -3.054200       1.960300      -1.812400    
 O   -2.691000      -1.886300       1.877400    
 N  -0.4771000       2.199100      -2.019100    
 N  -9.5100001E-02  -1.851300       1.860500    
 C   -1.607800      0.6092000     -0.5065000    
 C   -1.512800     -0.3973000      0.4569000    
 C  -0.4445000       1.176100      -1.040900    
 C  -0.2547000     -0.8373000      0.8854000    
 C   -4.148000      0.4753000     -0.3960000    
 C   -4.053000     -0.5311000      0.5675000    
 C   -2.928800       1.081900     -0.9685000    
 C   -2.731900      -1.004000       1.029200    
 C   0.8073000      0.7346000     -0.6112000    
 C   0.9020000     -0.2699000      0.3499000    
 C   -5.406100      0.9147000     -0.8250000    
 C   -5.216200      -1.098200       1.101800    
 C   -6.562700      0.3468000     -0.2900000    
 C   -6.468000     -0.6577000      0.6711000    
 C    2.815800       1.899000     -0.2471000    
 C    2.716800      -1.735600      6.7199998E-02
 C    2.306500       2.759800      0.7095000    
 C    2.038000      -2.302300     -0.9973000    
 C    4.172900       1.645700     -0.3450000    
 C    3.965000      -2.190700      0.4556000    
 C    3.181900       3.386900       1.596100    
 C    2.625600      -3.357100      -1.695600    
 C    5.048400       2.272600      0.5418000    
 C    4.552800      -3.245400     -0.2429000    
 C    4.552800       3.143200       1.512400    
 C    3.883200      -3.828600      -1.318500    
 H   -5.509700       1.696000      -1.573100    
 H   -5.172100      -1.882600       1.852500    
 H   0.3920000       2.578900      -2.371500    
 H   -1.353400       2.561200      -2.365900    
 H   0.8339000      -2.121500       2.155600    
 H  -0.8965000      -2.299800       2.280300    
 H   -7.538600      0.6881000     -0.6234000    
 H   -7.370100      -1.098100       1.085900    
 H    1.246200       2.981300      0.7842000    
 H    1.060800      -1.989100      -1.346900    
 H    4.560600      0.9688000      -1.100500    
 H    4.487700      -1.737100       1.292400    
 H    2.796800       4.068100       2.349300    
 H    2.105100      -3.811900      -2.533300    
 H    6.115700       2.082700      0.4763000    
 H    5.532000      -3.612200      5.0700001E-02
 H    5.234400       3.632200       2.202200    
 H    4.340700      -4.649800      -1.862400    


%chk=000080839-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080839

0 1
O 1.777491 0.947287 -1.072547
O 1.762191 -1.109223 1.045570
O -3.153205 1.986152 -1.910444
O -3.182075 -1.901395 2.051970
N -0.556081 1.958494 -1.966293
N -0.587996 -2.008179 2.014824
C -1.875204 0.515211 -0.470338
C -1.882682 -0.496701 0.565987
C -0.629280 0.995469 -0.994852
C -0.645322 -1.040333 1.047145
C -4.405596 0.572909 -0.416238
C -4.412963 -0.422895 0.603577
C -3.128113 1.075134 -0.985600
C -3.143473 -0.991471 1.126569
C 0.603621 0.457370 -0.470028
C 0.594297 -0.562772 0.481130
C -5.634515 1.095902 -0.895515
C -5.649174 -0.881595 1.127841
C -6.855693 0.635334 -0.369729
C -6.863059 -0.357666 0.646352
C 2.824467 1.517450 -0.280968
C 2.757291 -1.725280 0.222095
C 2.613652 2.010322 1.023803
C 2.486971 -2.201955 -1.077630
C 4.076194 1.620642 -0.921323
C 4.020691 -1.887490 0.826545
C 3.695955 2.618556 1.699246
C 3.521067 -2.856500 -1.784690
C 5.144882 2.234039 -0.233181
C 5.040460 -2.546242 0.106916
C 4.961063 2.734314 1.078149
C 4.796549 -3.032427 -1.199849
H -5.595344 1.859614 -1.678241
H -5.621307 -1.646955 1.909433
H 0.357195 2.247570 -2.312459
H -1.463340 2.323049 -2.307472
H 0.320437 -2.342910 2.331194
H -1.500633 -2.327521 2.385990
H -7.801688 1.042295 -0.743465
H -7.814724 -0.715050 1.054766
H 1.632323 1.927636 1.501328
H 1.497460 -2.070360 -1.526456
H 4.197489 1.215533 -1.930286
H 4.188259 -1.491693 1.832551
H 3.543003 3.006381 2.712397
H 3.322425 -3.232691 -2.794315
H 6.121758 2.317020 -0.721829
H 6.026004 -2.675421 0.567269
H 5.793262 3.209168 1.608284
H 5.590410 -3.543024 -1.754980


