%chk=000044502.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044502

0 1
 O  -0.9240000      -1.934700     -0.4915000    
 O   -3.191700      -3.542300     -0.3839000    
 O    3.535000      -1.095100      0.9643000    
 O  -0.9724000      0.5008000      -1.824700    
 O    5.674900     -0.7119000       1.673700    
 N   -3.586700     -9.7400002E-02  0.9153000    
 C   -4.038100       2.330500       1.233800    
 C   -4.243500       1.079300      0.3627000    
 C   -3.745300      -1.245100      3.2499999E-02
 C   -3.014300      -2.482100      0.5600000    
 C   -1.517500      -2.258600      0.7646000    
 C   -2.540900       2.607600       1.394900    
 C   -4.731100       3.567900      0.6575000    
 C   0.1611000      -1.112600     -0.4701000    
 C    2.415900      0.5806000     -0.4166000    
 C    2.409400     -0.6494000      0.2429000    
 C   0.1389000      0.1104000      -1.138500    
 C    1.301600      -1.498700      0.2260000    
 C    1.257300      0.9513000      -1.112300    
 C    3.626100       1.410700     -0.3457000    
 C    4.681600      0.9615000      0.3478000    
 C    3.665000       2.738600      -1.044000    
 C    4.690300     -0.3338000       1.048500    
 C   -1.051700      0.1225000      -3.197100    
 H   -4.461700       2.143800       2.229300    
 H   -3.865700       1.283100     -0.6480000    
 H   -5.320500      0.8896000      0.2745000    
 H   -4.809100      -1.493000     -7.6499999E-02
 H   -3.387100      -1.011200     -0.9785000    
 H   -3.464600      -2.806500       1.504900    
 H   -2.594200      9.5700003E-02   1.027300    
 H   -1.060500      -3.195100       1.106600    
 H   -1.322600      -1.491200       1.522800    
 H   -2.045100       1.845600       2.004100    
 H   -2.380000       3.564100       1.905200    
 H   -2.035100       2.660100      0.4246000    
 H   -4.597100       4.433400       1.314600    
 H   -5.806300       3.391300      0.5502000    
 H   -4.329500       3.823100     -0.3290000    
 H    1.340500      -2.451500      0.7466000    
 H    1.203700       1.898500      -1.643800    
 H   -2.752900      -3.279000      -1.211000    
 H    5.592100       1.548600      0.4212000    
 H    2.889600       3.406300     -0.6535000    
 H    3.517900       2.615700      -2.122300    
 H    4.626800       3.245200     -0.9053000    
 H   -1.993600      0.5021000      -3.602500    
 H   -1.042200     -0.9674000      -3.297400    
 H  -0.2243000      0.5601000      -3.764400    


%chk=000044502-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044502

0 1
O -0.924670 -1.019061 -0.726754
O -3.004007 -3.128985 -0.876314
O 3.300435 -0.474868 1.603450
O 0.085752 0.441556 -2.914971
O 5.273550 -0.226597 2.775983
N -3.693637 0.290751 0.608726
C -4.741253 2.177393 1.898687
C -4.898406 1.138200 0.761546
C -3.801386 -0.836619 -0.339152
C -2.949017 -2.047137 0.121292
C -1.504086 -1.683694 0.469304
C -3.588071 3.172445 1.621140
C -6.074030 2.934259 2.105508
C 0.395677 -0.575146 -0.655820
C 3.051158 0.488317 -0.654432
C 2.538381 -0.243505 0.455700
C 0.891977 0.141299 -1.800383
C 1.231139 -0.770831 0.462743
C 2.193173 0.657474 -1.778379
C 4.411126 1.010902 -0.576498
C 5.157073 0.775130 0.564908
C 4.988612 1.796869 -1.732134
C 4.668465 0.028886 1.717157
C -0.444630 -0.706327 -3.678372
H -4.501514 1.613848 2.823043
H -5.173376 1.680432 -0.179460
H -5.747602 0.470066 1.005488
H -4.852346 -1.173531 -0.383254
H -3.503492 -0.565320 -1.379298
H -3.401309 -2.484927 1.027838
H -2.859980 0.859490 0.411391
H -0.927613 -2.600317 0.696077
H -1.477341 -0.987330 1.328490
H -2.602453 2.671906 1.580181
H -3.529838 3.934636 2.419841
H -3.749001 3.702485 0.661760
H -5.995881 3.650475 2.943765
H -6.903362 2.237613 2.330591
H -6.347814 3.507249 1.198237
H 0.898299 -1.309796 1.352268
H 2.528726 1.210242 -2.660383
H -2.588078 -2.794625 -1.712750
H 6.180006 1.149854 0.658914
H 4.381851 2.697502 -1.943529
H 5.003131 1.191555 -2.658065
H 6.019780 2.120259 -1.518106
H -0.988201 -0.261106 -4.525160
H -1.130465 -1.310433 -3.058912
H 0.382947 -1.339538 -4.052104


