%chk=000056436.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056436

0 1
 O    5.166600      -1.628000       1.339000    
 O   -5.498300      -1.477700      -1.126600    
 O   -7.722600      -2.017800     -0.8366000    
 N   0.8796000      0.8532000      0.4553000    
 N    3.643800      0.3180000     -2.6300000E-02
 N   -6.787000     -0.1711000      0.2520000    
 C    1.330300      0.4051000     -0.8679000    
 C    1.709900      0.2406000       1.499700    
 C    2.788400      0.7996000      -1.115300    
 C    3.180200      0.6308000       1.331300    
 C  -0.5294000      0.5181000      0.6581000    
 C   -1.414200       1.226600     -0.3683000    
 C    5.020400      0.1779000     -0.2352000    
 C   -2.872600      0.9071000     -0.1563000    
 C    5.777200     -0.7957000      0.4490000    
 C    5.693800       1.016600      -1.146500    
 C   -3.426600     -0.1901000     -0.8060000    
 C   -3.630500       1.726600      0.6914000    
 C   -4.763500     -0.4379000     -0.5769000    
 C   -5.517100      0.3635000      0.2564000    
 C   -4.984100       1.455900      0.9082000    
 C    7.148800     -0.9248000      0.2307000    
 C    7.065500      0.8875000      -1.364700    
 C    7.793100     -8.3099999E-02 -0.6762000    
 C   -6.779500      -1.279300     -0.5794000    
 C   -7.922000      0.3333000      0.9825000    
 C    4.649900      -2.855000      0.8286000    
 H   0.7682000      0.8728000      -1.679900    
 H    1.219900     -0.6829000     -0.9699000    
 H    1.616600     -0.8537000       1.479300    
 H    1.378200      0.5788000       2.488900    
 H    3.100700      0.3649000      -2.073200    
 H    2.866600       1.891500      -1.195900    
 H    3.299400       1.708600       1.505000    
 H    3.759600      0.1263000       2.110000    
 H  -0.6874000     -0.5680000      0.6099000    
 H  -0.8366000      0.8363000       1.663200    
 H   -1.182500      0.9399000      -1.398800    
 H   -1.264400       2.313300     -0.3171000    
 H    5.165200       1.794000      -1.692400    
 H   -2.842900     -0.8272000      -1.460500    
 H   -3.174500       2.578100       1.190100    
 H   -5.577900       2.083100       1.562500    
 H    7.722300      -1.677900      0.7641000    
 H    7.568100       1.544700      -2.068300    
 H    8.861200     -0.1828000     -0.8453000    
 H   -7.696600      0.3180000       2.052700    
 H   -8.802500     -0.2866000      0.7927000    
 H   -8.129300       1.358400      0.6622000    
 H    3.893100      -2.667400      6.0400002E-02
 H    4.181600      -3.398600       1.653600    
 H    5.457400      -3.469500      0.4182000    


%chk=000056436-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056436

0 1
O 5.386369 -1.537494 1.588008
O -5.789881 -1.284046 -1.192449
O -8.069638 -1.848166 -0.810457
N 0.884295 0.626971 0.228726
N 3.725384 0.139267 -0.121060
N -6.953496 -0.096353 0.381543
C 1.457938 0.303528 -1.100368
C 1.688681 -0.023198 1.295305
C 2.924759 0.759017 -1.197137
C 3.154057 0.428418 1.225012
C -0.555507 0.297850 0.341030
C -1.463328 1.258539 -0.474829
C 5.143741 0.137401 -0.249191
C -2.937076 0.979063 -0.221925
C 5.957636 -0.688769 0.597856
C 5.817831 0.918750 -1.231586
C -3.595930 -0.066220 -0.931794
C -3.653071 1.721420 0.756925
C -4.933305 -0.310312 -0.621841
C -5.644792 0.430378 0.354457
C -5.013696 1.465367 1.062955
C 7.361658 -0.670684 0.501080
C 7.225030 0.908939 -1.346063
C 8.009313 0.128867 -0.468282
C -7.083537 -1.143784 -0.545459
C -8.056373 0.347962 1.233201
C 4.656878 -2.698397 1.031677
H 0.878743 0.821125 -1.885694
H 1.408034 -0.797828 -1.304017
H 1.646387 -1.140116 1.215859
H 1.270211 0.263715 2.277774
H 3.329868 0.446379 -2.176168
H 2.958572 1.872880 -1.143004
H 3.203389 1.522643 1.426597
H 3.750344 -0.099511 1.985454
H -0.769453 -0.758463 0.032765
H -0.837137 0.381012 1.408133
H -1.242432 1.154665 -1.554037
H -1.204369 2.293170 -0.185981
H 5.238433 1.567360 -1.895546
H -3.077264 -0.652259 -1.696500
H -3.133093 2.525152 1.290896
H -5.542618 2.056239 1.816920
H 7.927607 -1.310499 1.186497
H 7.705955 1.528728 -2.111249
H 9.101756 0.131038 -0.541456
H -7.804845 0.217767 2.301085
H -8.938852 -0.266556 0.994898
H -8.294477 1.409790 1.042741
H 3.838456 -2.365488 0.366522
H 4.252672 -3.239645 1.901296
H 5.353770 -3.351613 0.472379


