%chk=000001999.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001999

0 1
 O   8.9199997E-02  -1.709800      -1.358200    
 O   -2.546800     -0.7490000      -1.345800    
 O   -4.991600      0.4972000     -0.6959000    
 N  -0.9228000     -0.4178000      0.2965000    
 N   -3.026600      0.4950000      0.5688000    
 C    1.403000      -1.064700      0.5811000    
 C    2.263100      -2.335900      0.4383000    
 C    2.208600      0.1782000      0.2346000    
 C   0.1368000      -1.123300     -0.2792000    
 C    1.502400      -3.597400      0.8294000    
 C    2.980400      0.7687000       1.214900    
 C    2.143900      0.6795000      -1.049800    
 C    3.718800       1.908700      0.8974000    
 C    2.882300       1.819600      -1.367400    
 C    3.669800       2.434100     -0.3938000    
 C   -2.199600     -0.2712000     -0.2673000    
 C   -4.353800      0.8245000      0.3010000    
 C   -4.956800       1.663500       1.395500    
 H    1.084500     -0.9903000       1.630800    
 H    2.620800      -2.444000     -0.5936000    
 H    3.155200      -2.253400       1.071600    
 H   0.6626000      -3.796300      0.1579000    
 H    1.116900      -3.520400       1.851100    
 H    2.170800      -4.463700      0.7865000    
 H    3.025000      0.3650000       2.221900    
 H    1.565900      0.2229000      -1.844500    
 H  -0.7640000      3.8100000E-02   1.190800    
 H    4.332500       2.386900       1.655300    
 H    2.848900       2.226000      -2.374100    
 H    4.245900       3.320800     -0.6415000    
 H   -2.618200      0.8341000       1.435700    
 H   -4.891200       1.134000       2.350200    
 H   -4.423200       2.615300       1.467800    
 H   -6.008900       1.861000       1.172100    


%chk=000001999-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001999

0 1
O -0.261392 -2.384247 -1.027448
O -2.992714 -1.606468 -0.144407
O -5.045807 0.173069 1.019508
N -0.898487 -0.652340 0.430400
N -2.816389 0.685570 0.456631
C 1.437320 -1.449197 0.526663
C 2.421427 -2.491616 -0.070737
C 1.956759 -0.012056 0.403240
C 0.028117 -1.577590 -0.115625
C 2.125861 -3.937785 0.379733
C 2.319947 0.730399 1.555929
C 2.099512 0.596372 -0.872913
C 2.817562 2.049934 1.440495
C 2.595229 1.912716 -0.990109
C 2.955516 2.645566 0.166400
C -2.309757 -0.631364 0.208539
C -4.168088 1.022431 0.748747
C -4.434086 2.526148 0.690637
H 1.312107 -1.674721 1.607203
H 2.377582 -2.432867 -1.174355
H 3.446393 -2.204695 0.232361
H 1.128695 -4.261729 0.037972
H 2.167221 -4.030648 1.482159
H 2.871914 -4.635089 -0.042465
H 2.230087 0.267978 2.547365
H 1.821362 0.036399 -1.774223
H -0.502915 0.060340 1.052454
H 3.100997 2.606682 2.340731
H 2.702920 2.367646 -1.981194
H 3.343204 3.666023 0.073927
H -2.163504 1.464605 0.332025
H -3.613483 3.122756 1.129226
H -4.562269 2.840942 -0.361909
H -5.367041 2.742733 1.231138


