%chk=000003018.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003018

0 1
 O    1.537900      -2.164500     -0.6691000    
 O   -1.537800       2.164300     -0.6713000    
 O    4.878600     -0.1255000      3.0800000E-02
 O   -4.878700      0.1259000      3.0999999E-02
 O    3.155100     -0.9168000       1.325000    
 O   -3.155000      0.9170000       1.325200    
 N    2.780400      0.2244000     -0.6639000    
 N   -2.780400     -0.2245000     -0.6637000    
 C   -1.266500      -2.687800     -0.6628000    
 C    1.266500       2.687800     -0.6625000    
 C  -0.8640000      -3.649000      0.4171000    
 C   -2.241300      -3.053100      0.4180000    
 C    2.241200       3.052800      0.4184000    
 C   0.8640000       3.648400      0.4176000    
 C  -0.6738000      -1.317600     -0.6647000    
 C   0.6738000       1.317300     -0.6648000    
 C    1.409800      0.1911000     -0.6652000    
 C   -1.409900     -0.1914000     -0.6650000    
 C   0.8142000      -1.169800     -0.6669000    
 C  -0.8142000       1.169600     -0.6675000    
 C    3.559600     -0.3293000      0.3265000    
 C   -3.559600      0.3295000      0.3266000    
 C    5.818800     -0.6487000      0.9759000    
 C   -5.818700      0.6492000      0.9762000    
 C    7.221700     -0.3382000      0.4995000    
 C   -7.221700      0.3389000      0.4997000    
 H   -1.440800      -3.097900      -1.651700    
 H    1.440700       3.098100      -1.651400    
 H  -0.7681000      -4.694800      0.1504000    
 H  -0.1865000      -3.327400       1.198900    
 H   -2.465000      -2.356100       1.216300    
 H   -3.069700      -3.698400      0.1507000    
 H    2.465000       2.355500       1.216500    
 H    3.069600       3.698400      0.1513000    
 H   0.7679000       4.694300      0.1513000    
 H   0.1864000       3.326500       1.199300    
 H    3.231800      0.9445000      -1.222100    
 H   -3.232000     -0.9446000      -1.221800    
 H    5.687300      -1.733300       1.058900    
 H    5.648900     -0.1850000       1.954100    
 H   -5.687100       1.733700       1.059100    
 H   -5.648700      0.1855000       1.954300    
 H    7.400500     -0.7799000     -0.4865000    
 H    7.362400      0.7426000      0.3938000    
 H    7.967300     -0.7246000       1.200000    
 H   -7.967100      0.7254000       1.200200    
 H   -7.362400     -0.7419000      0.3940000    
 H   -7.400200      0.7805000     -0.4862000    


%chk=000003018-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003018

0 1
O 1.605768 -2.057444 -1.278942
O -1.605694 2.057677 -1.278794
O 4.949681 -0.172613 0.086061
O -4.949614 0.172630 0.086132
O 3.247769 -1.506542 1.017578
O -3.247703 1.506347 1.017943
N 2.803783 0.353029 -0.394294
N -2.803725 -0.352891 -0.394378
C -1.122268 -2.752629 -0.547395
C 1.122352 2.752772 -0.547194
C -0.490775 -3.769789 0.408893
C -1.903576 -3.246790 0.695822
C 1.903325 3.246943 0.696242
C 0.490638 3.769999 0.408869
C -0.598609 -1.349382 -0.606661
C 0.598667 1.349537 -0.606550
C 1.415564 0.236322 -0.533997
C -1.415499 -0.236173 -0.534068
C 0.853240 -1.142037 -0.828670
C -0.853155 1.142195 -0.828689
C 3.619101 -0.557376 0.295544
C -3.619033 0.557353 0.295680
C 5.966508 -0.997552 0.803708
C -5.966435 0.997419 0.803956
C 7.331943 -0.426132 0.438100
C -7.331866 0.425988 0.438348
H -1.444182 -3.163908 -1.513781
H 1.444585 3.163990 -1.513502
H -0.375915 -4.795974 0.050682
H 0.327004 -3.419986 1.044923
H -2.022590 -2.548666 1.530264
H -2.751597 -3.921196 0.540359
H 2.022060 2.548840 1.530741
H 2.751424 3.921303 0.541001
H 0.375943 4.796180 0.050592
H -0.327351 3.420265 1.044665
H 3.248348 1.234416 -0.661739
H -3.248291 -1.234228 -0.661983
H 5.846174 -2.047379 0.482051
H 5.759004 -0.941361 1.887999
H -5.846170 2.047297 0.482439
H -5.758863 0.941087 1.888226
H 7.500069 -0.475950 -0.651131
H 7.420545 0.626253 0.758064
H 8.125381 -1.009721 0.939353
H -8.125302 1.009469 0.939733
H -7.420399 -0.626446 0.758167
H -7.500061 0.475955 -0.650865


