%chk=000041451.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041451

0 1
 O   -3.212500      -1.799100      0.1466000    
 O   -5.883100      -2.671600      3.1399999E-02
 O    3.004800     -0.9813000      0.2109000    
 O    4.243400       2.829200     -0.5062000    
 N   -5.370700      0.9777000     -0.3247000    
 C   -5.461800      -1.478800     -0.6367000    
 C   -5.713900     -0.2935000      0.2981000    
 C   -5.672700       2.091700      0.5638000    
 C   -3.995500      -1.633000      -1.034600    
 C   -7.162600       2.116800      0.8931000    
 C   -5.234400       3.397400     -9.1799997E-02
 C    2.096800      3.6200002E-02 -2.4400000E-02
 C   0.7087000     -0.4434000      1.9600000E-02
 C    2.415000       1.324400     -0.2633000    
 C   -1.927000      -1.354400      0.1054000    
 C    4.822400      0.5993000     -4.4100001E-02
 C    4.340800     -0.6836000      0.1956000    
 C    3.861900       1.685800     -0.2897000    
 C   9.0700001E-02 -0.9014000      -1.144000    
 C   8.5000005E-03 -0.4409000       1.226200    
 C   -1.227000      -1.356800      -1.101100    
 C   -1.309200     -0.8964000       1.269200    
 C    1.456600       2.456000     -0.4994000    
 C    6.198200      0.8454000     -4.9300000E-02
 C    5.230800      -1.731800      0.4325000    
 C    7.087300     -0.2036000      0.1882000    
 C    6.604600      -1.490300      0.4288000    
 H   -6.077400      -1.377300      -1.538500    
 H   -5.157400     -0.4310000       1.233800    
 H   -6.775000     -0.3486000      0.5647000    
 H   -5.102500       1.987700       1.495600    
 H   -5.881600       1.079600      -1.201300    
 H   -3.693600     -0.7507000      -1.612500    
 H   -3.872800      -2.530500      -1.652200    
 H   -7.427700       3.065700       1.374500    
 H   -7.783300       2.027700     -5.9000002E-03
 H   -7.449800       1.330900       1.598600    
 H   -4.163500       3.379900     -0.3238000    
 H   -5.414000       4.246500      0.5766000    
 H   -5.779700       3.583100      -1.024200    
 H   0.6260000     -0.9154000      -2.090400    
 H   0.4765000     -8.7099999E-02   2.141700    
 H   -5.752400      -3.413400     -0.5837000    
 H   -1.660400      -1.731600      -2.023700    
 H   -1.850000     -0.8914000       2.211600    
 H    1.631500       2.900100      -1.485000    
 H    1.594400       3.233300      0.2597000    
 H   0.4079000       2.149100     -0.4630000    
 H    6.593700       1.840100     -0.2344000    
 H    4.862600      -2.736700      0.6203000    
 H    8.157600     -1.8100001E-02  0.1857000    
 H    7.299200      -2.304600      0.6132000    


%chk=000041451-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041451

0 1
O -3.145207 -1.183001 -0.268784
O -5.353806 -2.824362 -0.665536
O 3.089051 -0.804420 0.532283
O 5.189636 2.387915 -1.123451
N -6.313713 0.816275 -0.366335
C -5.409577 -1.402161 -1.030493
C -6.045801 -0.560183 0.103879
C -6.421347 1.873639 0.676909
C -4.021958 -0.885760 -1.427558
C -7.590364 1.656169 1.676627
C -6.530317 3.246163 -0.017276
C 2.409000 0.184980 -0.216771
C 0.967176 -0.137259 -0.271845
C 3.077107 1.273818 -0.762318
C -1.799247 -0.814818 -0.336905
C 5.229297 0.336411 0.150866
C 4.476978 -0.722687 0.713719
C 4.546191 1.402792 -0.621652
C 0.164294 0.174162 -1.400914
C 0.351523 -0.818242 0.820559
C -1.205179 -0.156479 -1.442192
C -1.010928 -1.147497 0.794694
C 2.383492 2.410587 -1.481471
C 6.633927 0.351801 0.362643
C 5.078824 -1.752895 1.469728
C 7.252425 -0.662746 1.111577
C 6.471444 -1.716105 1.665116
H -6.061902 -1.365641 -1.922872
H -5.333929 -0.503733 0.949626
H -6.943348 -1.111740 0.461969
H -5.469470 1.844511 1.245700
H -7.120458 0.851034 -1.007496
H -4.068442 0.205365 -1.603803
H -3.640160 -1.422544 -2.316900
H -7.582184 2.428309 2.468552
H -8.565087 1.714209 1.154091
H -7.520913 0.667800 2.166507
H -5.672016 3.406965 -0.692282
H -6.556353 4.063220 0.725785
H -7.459300 3.309406 -0.618042
H 0.614135 0.649890 -2.276031
H 0.957221 -1.084674 1.691156
H -4.596181 -2.933810 -0.033000
H -1.789314 0.091793 -2.332267
H -1.485546 -1.660729 1.636503
H 2.328886 2.234277 -2.573052
H 2.989327 3.322885 -1.349226
H 1.361569 2.583251 -1.105668
H 7.200779 1.179339 -0.076182
H 4.457159 -2.553750 1.880400
H 8.335353 -0.646857 1.271711
H 6.955650 -2.507572 2.247222


