%chk=000043792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043792

0 1
 O   -3.674300       2.648700     -0.1877000    
 O   -1.408000       2.529100     -0.2151000    
 O    7.932900     -8.3600000E-02 -0.1657000    
 O   -6.862500      -1.930500      0.2215000    
 O   -7.014800      0.2531000      5.5000000E-02
 N  -0.5184000     -0.4281000      3.0000000E-03
 N    2.356700     -0.3096000     -5.3800002E-02
 N   -2.476000       1.880400     -0.1467000    
 N   -4.745000       1.774100     -0.1013000    
 N   -6.323800     -0.7968000      0.1253000    
 C   0.2789000     -0.9357000       1.119200    
 C   0.1898000      0.1418000      -1.143200    
 C    1.622900     -0.2075000       1.207600    
 C    1.584700     -0.4734000      -1.285500    
 C   -1.909300     -0.4863000      2.9999999E-02
 C    3.747600     -0.2532000     -8.1299998E-02
 C   -2.804400      0.5956000     -4.0399998E-02
 C   -2.628400      -1.709000      0.1376000    
 C   -4.247200      0.5324000     -1.1800000E-02
 C    4.474000      0.4872000      0.8807000    
 C    4.492400     -0.9336000      -1.073300    
 C   -4.051200      -1.812800      0.1689000    
 C   -4.915700     -0.7009000      9.6000001E-02
 C    5.867400      0.5442000      0.8523000    
 C    5.885800     -0.8768000      -1.101700    
 C    6.573400     -0.1378000     -0.1388000    
 C    8.572400      0.6888000      0.8494000    
 H   0.4420000      -2.011900      0.9835000    
 H  -0.2577000     -0.7986000       2.066000    
 H   0.3146000       1.219700      -1.020100    
 H  -0.3721000     -3.0700000E-02  -2.068900    
 H    1.459500      0.8507000       1.446200    
 H    2.193700     -0.6551000       2.030500    
 H    1.499300      -1.541900      -1.519400    
 H    2.084400      1.7500000E-02  -2.129800    
 H   -2.061700      -2.639600      0.1979000    
 H    3.954800       1.041600       1.659500    
 H    3.990100      -1.530000      -1.831800    
 H   -4.466800      -2.817100      0.2534000    
 H    6.338000       1.138500       1.628000    
 H    6.430700      -1.412400      -1.874200    
 H    9.651400      0.6203000      0.6762000    
 H    8.382100      0.2787000       1.847000    
 H    8.303800       1.748300      0.7779000    


%chk=000043792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043792

0 1
O -4.167020 2.275726 -1.476977
O -1.824382 2.765872 -0.867955
O 7.957532 -0.240150 -0.471497
O -6.488970 -2.570903 0.390284
O -6.934233 -0.766755 -0.952081
N -0.604024 0.039010 0.335156
N 2.309395 -0.120068 0.101548
N -2.742137 1.892513 -0.866733
N -5.034693 1.203663 -1.245159
N -6.140861 -1.469499 -0.208091
C 0.236201 -0.693558 1.316565
C 0.145752 0.740272 -0.747636
C 1.642460 -0.075906 1.408362
C 1.446903 -0.018661 -1.085155
C -1.957716 -0.241718 0.270569
C 3.716777 -0.137066 -0.006677
C -2.914612 0.612896 -0.415504
C -2.518628 -1.391353 0.891556
C -4.311362 0.236403 -0.605265
C 4.552179 0.152781 1.108726
C 4.351973 -0.454788 -1.247308
C -3.876168 -1.755021 0.729826
C -4.774838 -1.000161 -0.034782
C 5.960660 0.121685 0.998993
C 5.751401 -0.471797 -1.360759
C 6.569262 -0.186945 -0.240102
C 8.834483 0.057641 0.660127
H 0.331669 -1.762123 1.028108
H -0.250292 -0.648997 2.308302
H 0.383816 1.774992 -0.447787
H -0.480692 0.787875 -1.652761
H 1.571777 0.957044 1.818571
H 2.220166 -0.676334 2.136300
H 1.200545 -1.014459 -1.516871
H 1.966582 0.560271 -1.872408
H -1.872914 -2.066832 1.455353
H 4.114578 0.434655 2.071668
H 3.753048 -0.716737 -2.125330
H -4.253574 -2.679253 1.177669
H 6.562986 0.355188 1.882333
H 6.233409 -0.718492 -2.311826
H 9.857214 -0.037401 0.266383
H 8.687020 -0.663726 1.488543
H 8.675331 1.088016 1.035821


