%chk=000002057.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002057

0 1
 O    5.034300      -1.957300      0.8415000    
 O   -5.328600       1.166400      -1.592600    
 O    6.128500     -0.4929000      -1.252100    
 O    1.184800       1.776900       1.901600    
 O   -6.317600      -1.145500     -0.4102000    
 N   4.8300002E-02  -1.241500      -1.612600    
 C    2.495300      0.6048000      0.3715000    
 C   -2.548400      0.2693000      0.6050000    
 C    1.194400       1.002000      0.9503000    
 C   -1.227300      0.7610000      0.9629000    
 C  -5.8499999E-02  0.4225000      0.3658000    
 C    3.153000     -0.4981000      0.8856000    
 C   -3.318300      0.9574000     -0.3329000    
 C    3.023800       1.346400     -0.6695000    
 C   -3.045700     -0.8904000       1.199500    
 C    4.380900     -0.8722000      0.3400000    
 C   -4.585200      0.4856000     -0.6765000    
 C    4.930500     -0.1370000     -0.7103000    
 C    4.252000      0.9724000      -1.214900    
 C   -5.082500     -0.6741000     -8.2000002E-02
 C   -4.312700      -1.361900      0.8561000    
 C  -1.1000000E-03 -0.4937000     -0.7265000    
 H   -1.239800       1.447500       1.807000    
 H    2.725700      -1.070900       1.704300    
 H   -2.939000       1.863200     -0.8012000    
 H    2.501100       2.211700      -1.067000    
 H   -2.458000      -1.437800       1.932600    
 H    4.668600       1.554100      -2.032900    
 H   -4.687900      -2.266800       1.326800    
 H    5.864700      -2.069900      0.3471000    
 H   -6.174400      0.6996000      -1.708100    
 H    6.350300      0.1288000      -1.966400    
 H   -6.493300      -1.955300      9.9200003E-02


%chk=000002057-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002057

0 1
O 6.045825 0.484753 1.640455
O -5.977687 1.694110 0.933411
O 6.553857 -0.321585 -0.884066
O 1.049437 1.348188 1.863240
O -6.760162 -0.446704 -0.522302
N 0.135058 -2.337957 -1.081912
C 2.555697 0.251804 0.351054
C -2.637656 0.162133 0.243144
C 1.191840 0.544847 0.887460
C -1.263594 0.500931 0.590192
C -0.048970 -0.099887 0.289731
C 3.656388 0.484346 1.223337
C -3.651238 1.049702 0.726327
C 2.796826 -0.165700 -0.985620
C -3.034824 -0.973949 -0.528735
C 4.967666 0.276398 0.778579
C -5.004939 0.817230 0.453094
C 5.194049 -0.150271 -0.561782
C 4.117154 -0.360231 -1.443028
C -5.375214 -0.321065 -0.317364
C -4.394240 -1.209512 -0.803618
C 0.056707 -1.309901 -0.468590
H -1.144412 1.395010 1.221025
H 3.475351 0.831751 2.243979
H -3.384090 1.928257 1.322437
H 1.971071 -0.318413 -1.683860
H -2.290910 -1.674291 -0.911495
H 4.299587 -0.674313 -2.477866
H -4.688054 -2.085332 -1.395084
H 6.891681 0.285471 1.159210
H -6.875351 1.377813 0.649437
H 6.683404 -0.637449 -1.810229
H -6.992358 -1.241880 -1.059464


