%chk=000060685.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060685

0 1
 O    7.935200      -1.556600     -0.6061000    
 O   -1.134300      0.6432000      -1.548600    
 O   -1.214100       1.931900       2.859800    
 O    1.541800      0.3088000       1.040800    
 N  -0.8434000       1.479200      0.5981000    
 N   -2.575600      0.5200000       1.606800    
 N    5.940000      0.4617000     -0.3894000    
 N    2.740000       2.192900      0.3918000    
 C   -2.684900     -3.8000001E-03  0.2475000    
 C   -1.469300      0.7258000     -0.3716000    
 C   -3.954200      0.4545000     -0.4812000    
 C   -2.543600      -1.527800      0.3146000    
 C   -1.497900       1.380300       1.804500    
 C    4.601000      0.9921000     -0.6377000    
 C   0.3355000       2.287700      0.3584000    
 C    6.644500      0.2104000      -1.654400    
 C    5.873100     -0.7735000      0.4037000    
 C    4.061600       1.672200      0.6120000    
 C    8.033500     -0.3543000      -1.370300    
 C    7.280500      -1.314000      0.6397000    
 C   -4.162100      9.4999999E-02  -1.812800    
 C   -3.522600      -2.291800      0.9502000    
 C   -4.901100       1.230300      0.1879000    
 C   -1.436300      -2.151800     -0.2603000    
 C    1.577500       1.464400      0.6255000    
 C   -5.316700      0.5115000      -2.475600    
 C   -3.394200      -3.679300       1.011200    
 C   -6.055600       1.646500     -0.4750000    
 C   -1.308100      -3.539500     -0.1993000    
 C   -6.263400       1.287200      -1.806700    
 C   -2.287000      -4.303200      0.4363000    
 H   -3.215700      0.2716000       2.355600    
 H    4.638700       1.750200      -1.432000    
 H    3.914800      0.2124000     -0.9940000    
 H   0.3452000       2.625100     -0.6830000    
 H   0.3285000       3.149900       1.033000    
 H    6.078200     -0.5017000      -2.268900    
 H    6.752600       1.140700      -2.223600    
 H    5.414100     -0.6026000       1.381900    
 H    5.278300      -1.532200     -0.1218000    
 H    4.010100      0.9895000       1.465100    
 H    4.698100       2.517600      0.8966000    
 H    8.536000     -0.5987000      -2.311700    
 H    8.662800      0.3683000     -0.8365000    
 H    7.883700     -0.6240000       1.242400    
 H    7.229000      -2.265700       1.178400    
 H   -3.440800     -0.5139000      -2.350800    
 H   -4.390900      -1.823000       1.405400    
 H   -4.780900       1.532200       1.223300    
 H  -0.6409000      -1.606700     -0.7547000    
 H    2.660800       3.145000      4.5899998E-02
 H   -5.479300      0.2305000      -3.512000    
 H   -4.156000      -4.274000       1.506700    
 H   -6.793300       2.250400      4.5400001E-02
 H  -0.4447000      -4.025900     -0.6441000    
 H   -7.162600       1.611200      -2.322600    
 H   -2.186700      -5.383500      0.4845000    


%chk=000060685-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060685

0 1
O 7.443760 -1.878411 -1.127134
O -0.748776 0.867396 -1.198632
O -1.625386 2.158238 3.232540
O 1.486325 0.498026 1.384062
N -0.963153 1.767437 0.970545
N -2.736440 0.640498 1.767355
N 5.552714 0.269231 -0.617748
N 2.664406 2.377015 0.681155
C -2.565975 0.101786 0.393850
C -1.318316 0.925340 -0.084892
C -3.748674 0.445370 -0.533027
C -2.244015 -1.410518 0.462891
C -1.781616 1.570461 2.135856
C 4.283937 1.029241 -0.682599
C 0.231030 2.591714 0.991218
C 6.222632 0.127205 -1.937612
C 5.393997 -1.068186 0.016713
C 3.974158 1.701086 0.679331
C 7.588834 -0.554460 -1.754786
C 6.767984 -1.737641 0.174242
C -3.707172 0.023867 -1.887489
C -3.259774 -2.374780 0.250817
C -4.851472 1.205207 -0.078309
C -0.946502 -1.838134 0.849119
C 1.507863 1.713174 1.027898
C -4.761494 0.349667 -2.765688
C -2.983914 -3.750833 0.415280
C -5.911434 1.525034 -0.958623
C -0.674580 -3.214043 1.005703
C -5.871344 1.097188 -2.304094
C -1.689789 -4.175410 0.791358
H -3.337053 0.197941 2.460994
H 4.387281 1.813532 -1.457016
H 3.416301 0.390424 -0.973526
H 0.243585 3.258814 0.110058
H 0.181155 3.203594 1.911687
H 5.607532 -0.477008 -2.650560
H 6.369955 1.132080 -2.377093
H 4.925695 -0.957390 1.011421
H 4.731358 -1.726530 -0.598589
H 3.948136 0.939770 1.476666
H 4.766491 2.430115 0.922250
H 8.075136 -0.740458 -2.726732
H 8.241190 0.088903 -1.125280
H 7.399623 -1.133061 0.860422
H 6.668860 -2.763291 0.566204
H -2.843796 -0.543811 -2.249362
H -4.262674 -2.054846 -0.051885
H -4.877013 1.556346 0.958345
H -0.147389 -1.107393 1.029753
H 2.606495 3.338649 0.341299
H -4.716696 0.022303 -3.810302
H -3.777484 -4.487722 0.248170
H -6.762357 2.110601 -0.592878
H 0.331687 -3.534478 1.297387
H -6.691144 1.346518 -2.987049
H -1.473789 -5.242668 0.914613


