%chk=000037060.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037060

0 1
 O   -1.999100      -1.758200      0.1911000    
 O   -4.668400      -1.907100      0.9555000    
 O    5.810400      0.6795000      0.8505000    
 N   -3.336800       1.499200      0.3778000    
 N    3.712300       1.074200     -7.9599999E-02
 C   -3.892600     -0.7462000       1.266300    
 C   -4.121300      0.2908000      0.1641000    
 C   -3.529400       2.445100     -0.7131000    
 C   -2.430500      -1.162800       1.410800    
 C   -2.681700       2.043900      -1.916900    
 C   -3.174000       3.849700     -0.2361000    
 C    3.455400      -1.138400      -1.145700    
 C    2.016100      -1.302200     -0.7925000    
 C  -0.6772000      -1.608400     -0.1330000    
 C    3.887500      0.3256000      -1.295400    
 C    1.625900      -1.342500      0.5461000    
 C    1.059400      -1.414900      -1.801300    
 C   0.2794000      -1.495700      0.8760000    
 C  -0.2872000      -1.568100      -1.471600    
 C    4.693400       1.188300      0.8954000    
 C    4.258400       2.048200       2.051700    
 H   -4.255700     -0.3580000       2.224700    
 H   -5.192600      0.5305000      0.1339000    
 H   -3.893400     -0.1714000     -0.8034000    
 H   -4.584500       2.474600      -1.015300    
 H   -3.620800       1.919800       1.262500    
 H   -2.345500      -1.918900       2.200200    
 H   -1.836700     -0.2835000       1.688500    
 H   -1.621300       1.964500      -1.650700    
 H   -2.994900       1.087100      -2.345300    
 H   -2.766700       2.793600      -2.711600    
 H   -2.128600       3.912000      8.6900003E-02
 H   -3.807200       4.154600      0.6046000    
 H   -3.319600       4.579800      -1.039800    
 H    4.076000      -1.630400     -0.3851000    
 H    3.667000      -1.669400      -2.082800    
 H    3.296700      0.8255000      -2.070700    
 H    4.941100      0.3675000      -1.592500    
 H    2.361600      -1.264700       1.342400    
 H    1.349900      -1.382400      -2.848100    
 H   -4.317700      -2.286400      0.1313000    
 H   2.2700001E-02  -1.553700       1.929600    
 H   -1.028700      -1.653400      -2.261200    
 H    2.821700       1.542400      6.1900001E-02
 H    3.261700       1.751400       2.391100    
 H    4.959700       1.930600       2.882400    
 H    4.240500       3.096000       1.740000    


%chk=000037060-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037060

0 1
O -1.974046 -1.288225 -0.231580
O -4.577253 -2.186013 0.121372
O 6.429287 0.973656 0.165109
N -4.290793 1.566190 0.497040
N 4.188533 0.669913 -0.399582
C -4.143468 -0.913464 0.715604
C -4.510126 0.279904 -0.201332
C -4.000605 2.752382 -0.359122
C -2.646150 -0.948985 1.043221
C -2.539684 2.711191 -0.860328
C -4.264464 4.031499 0.460896
C 3.767093 -1.806142 -0.587642
C 2.255387 -1.694567 -0.452848
C -0.574578 -1.403455 -0.234636
C 4.415150 -0.534518 -1.209269
C 1.648061 -1.337109 0.775753
C 1.406075 -1.904335 -1.574771
C 0.246148 -1.188772 0.898538
C 0.009898 -1.763607 -1.474719
C 5.216707 1.340102 0.248943
C 4.791012 2.559377 1.065445
H -4.708040 -0.836130 1.663235
H -5.557487 0.130380 -0.546625
H -3.863630 0.245645 -1.096446
H -4.673425 2.771017 -1.252795
H -5.054007 1.768021 1.157331
H -2.423621 -1.733466 1.792196
H -2.320639 0.047014 1.398730
H -1.846850 2.781401 -0.001934
H -2.318041 1.772399 -1.399275
H -2.341356 3.553059 -1.549547
H -3.639111 4.035159 1.373114
H -5.326222 4.103486 0.766551
H -4.021461 4.931728 -0.130444
H 4.231765 -1.984582 0.399305
H 4.031366 -2.664973 -1.234895
H 4.015069 -0.375903 -2.229951
H 5.509511 -0.660592 -1.279151
H 2.278120 -1.184385 1.660475
H 1.845571 -2.192069 -2.538075
H -3.911646 -2.418991 -0.578054
H -0.186758 -0.917547 1.865667
H -0.642864 -1.933608 -2.336807
H 3.225201 0.983651 -0.268394
H 3.699927 2.728042 1.072989
H 5.143694 2.437480 2.103883
H 5.287453 3.456443 0.656424


