%chk=000122890.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122890

0 1
 O   -1.017100       1.008100      -1.591200    
 O    1.017100       1.008000       1.591200    
 O   -4.611500      0.7704000       2.355300    
 O    4.611400      0.7704000      -2.355300    
 O   0.4145000      -3.734900       3.681600    
 O  -0.4146000      -3.735000      -3.681600    
 N   0.7701000      -2.558600       1.670900    
 N  -0.7701000      -2.558700      -1.670900    
 C  -0.5146000     -0.8312000      0.5153000    
 C   0.5147000     -0.8313000     -0.5154000    
 C   -1.641000     -1.1000000E-03  0.4683000    
 C    1.641000     -1.0000000E-03 -0.4684000    
 C   -2.588600     -5.4000001E-02   1.492800    
 C    2.588500     -5.4000001E-02  -1.492800    
 C  -0.3405000      -1.710200       1.584800    
 C   0.3405000      -1.710200      -1.584800    
 C   -1.817300      0.9260000     -0.6681000    
 C    1.817300      0.9261000      0.6680000    
 C   -3.009800       1.797000     -0.7047000    
 C    3.009900       1.797000      0.7047000    
 C   -3.957100       1.744300      0.3200000    
 C    3.957100       1.744400     -0.3200000    
 C   -3.781000      0.8170000       1.456300    
 C    3.781000      0.8170000      -1.456200    
 C   -2.410000     -0.9376000       2.564000    
 C    2.409900     -0.9376000      -2.564000    
 C   -1.286300      -1.763300       2.606900    
 C    1.286300      -1.763300      -2.606900    
 C   -3.188600       2.680300      -1.776100    
 C    3.188600       2.680300       1.776100    
 C   -5.083100       2.575000      0.2732000    
 C    5.083000       2.575000     -0.2732000    
 C   -4.312000       3.506600      -1.818600    
 C    4.312100       3.506600       1.818600    
 C   -5.257200       3.454100     -0.7961000    
 C    5.257200       3.454100      0.7961000    
 C    1.070400      -3.483200       2.675800    
 C   -1.070300      -3.483200      -2.675800    
 C    2.365200      -4.204500       2.397800    
 C   -2.365200      -4.204400      -2.397700    
 H   -3.133700     -0.9964000       3.372700    
 H    3.133700     -0.9964000      -3.372700    
 H   -1.233900      -2.409600       3.469800    
 H    1.233700      -2.409600      -3.469900    
 H    1.446000      -2.500600      0.9145000    
 H   -1.446000      -2.500600     -0.9145000    
 H   -2.468200       2.742800      -2.587200    
 H    2.468100       2.742800       2.587200    
 H   -5.834400       2.552900       1.058000    
 H    5.834400       2.553100      -1.057900    
 H   -4.449900       4.191800      -2.650100    
 H    4.450100       4.191800       2.650100    
 H   -6.130900       4.098400     -0.8315000    
 H    6.131000       4.098400      0.8315000    
 H    2.283800      -4.762300       1.460600    
 H    2.581900      -4.903800       3.210000    
 H    3.183700      -3.482800       2.323800    
 H   -2.283600      -4.762500      -1.460700    
 H   -2.582100      -4.903400      -3.210200    
 H   -3.183600      -3.482600      -2.323400    


%chk=000122890-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122890

0 1
O -1.027175 1.054157 -1.622067
O 1.026986 1.054525 1.621870
O -4.872380 0.584558 2.302765
O 4.873028 0.583601 -2.301994
O 0.400337 -3.865945 3.560636
O -0.400837 -3.865086 -3.561187
N 0.777699 -2.503760 1.679436
N -0.777777 -2.503559 -1.679439
C -0.538939 -0.808449 0.528037
C 0.539031 -0.808479 -0.527894
C -1.718402 -0.013454 0.438627
C 1.718625 -0.013697 -0.438364
C -2.730337 -0.117503 1.445135
C 2.730570 -0.117798 -1.444853
C -0.402966 -1.728836 1.623860
C 0.402980 -1.728791 -1.623769
C -1.890494 0.954623 -0.690827
C 1.890952 0.954049 0.691333
C -3.117392 1.809718 -0.707180
C 3.117716 1.809341 0.707522
C -4.119296 1.692637 0.297911
C 4.119653 1.692191 -0.297529
C -3.970941 0.709490 1.411289
C 3.971108 0.709303 -1.411112
C -2.563143 -1.027794 2.514080
C 2.563329 -1.028058 -2.513818
C -1.420522 -1.833261 2.610603
C 1.420597 -1.833355 -2.610436
C -3.281961 2.750664 -1.754280
C 3.282265 2.750329 1.754586
C -5.271485 2.514083 0.243855
C 5.271922 2.513518 -0.243392
C -4.429323 3.567134 -1.800549
C 4.429693 3.566704 1.800916
C -5.427178 3.448474 -0.799221
C 5.427615 3.447928 0.799668
C 1.141385 -3.494263 2.606595
C -1.141579 -3.493924 -2.606714
C 2.527160 -4.087541 2.377659
C -2.528220 -4.085643 -2.378938
H -3.355085 -1.084755 3.267056
H 3.355278 -1.085062 -3.266785
H -1.286559 -2.540088 3.430962
H 1.286603 -2.540160 -3.430809
H 1.463049 -2.297709 0.945883
H -1.463199 -2.297385 -0.945985
H -2.498200 2.820924 -2.514761
H 2.498494 2.820619 2.515053
H -6.024498 2.399602 1.029826
H 6.024946 2.399007 -1.029348
H -4.551112 4.294219 -2.610363
H 4.551494 4.293786 2.610731
H -6.318320 4.083904 -0.837639
H 6.318796 4.083300 0.838121
H 2.986139 -3.795663 1.417699
H 2.456170 -5.186753 2.422672
H 3.194514 -3.769390 3.198386
H -2.985653 -3.796899 -1.417290
H -2.459235 -5.184752 -2.428655
H -3.195922 -3.762775 -3.197572


