%chk=000020178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020178

0 1
 O    3.620600       3.056200     -0.8102000    
 O   -3.620600      -3.056100     -0.8102000    
 N    4.671500      -2.043800      0.4995000    
 N   -4.671500       2.043900      0.4995000    
 N    3.426100      -2.556800      0.6868000    
 N   -3.426100       2.556800      0.6868000    
 C    3.368200     -0.3897000      0.1155000    
 C   -3.368200      0.3897000      0.1156000    
 C    4.686900     -0.7241000      0.1495000    
 C   -4.686900      0.7240000      0.1495000    
 C    2.964000      0.8893000     -0.2067000    
 C   -2.964000     -0.8894000     -0.2066000    
 C   0.7173000     -0.1114000      0.1504000    
 C  -0.7173000      0.1114000      0.1504000    
 C    2.586400      -1.529400      0.4495000    
 C   -2.586400       1.529300      0.4495000    
 C    5.778300      0.1867000     -0.1374000    
 C   -5.778300     -0.1866000     -0.1373000    
 C    1.567800       1.001700     -0.1793000    
 C   -1.567800      -1.001600     -0.1793000    
 C    1.184000      -1.417100      0.4773000    
 C   -1.184000       1.417200      0.4774000    
 C    5.423300       1.518500     -0.4757000    
 C   -5.423300      -1.518500     -0.4757000    
 C    3.970800       1.921000     -0.5221000    
 C   -3.970800      -1.920900     -0.5221000    
 C    5.785000      -2.943500      0.6928000    
 C   -5.785000       2.943500      0.6928000    
 C    7.122100     -0.1841000     -9.5600002E-02
 C   -7.122100      0.1840000     -9.5600002E-02
 C    6.414400       2.457000     -0.7663000    
 C   -6.414400      -2.456900     -0.7663000    
 C    5.334100      -4.341300       1.080900    
 C   -5.334100       4.341300       1.080900    
 C    8.106900      0.7616000     -0.3880000    
 C   -8.106900     -0.7617000     -0.3881000    
 C    7.755400       2.072900     -0.7210000    
 C   -7.755400      -2.072800     -0.7210000    
 H    1.150300       1.965200     -0.4644000    
 H   -1.150300      -1.965100     -0.4645000    
 H   0.5649000      -2.255200      0.7653000    
 H  -0.5650000       2.255300      0.7653000    
 H    6.339300      -2.994600     -0.2490000    
 H    6.409900      -2.533400       1.491700    
 H   -6.339400       2.994400     -0.2490000    
 H   -6.409900       2.533300       1.491800    
 H    7.464700      -1.177500      0.1536000    
 H   -7.464700       1.177400      0.1535000    
 H    6.165100       3.481200      -1.027700    
 H   -6.165200      -3.481100      -1.027600    
 H    4.779300      -4.345400       2.025900    
 H    6.209900      -4.985200       1.215700    
 H    4.709500      -4.800400      0.3064000    
 H   -4.779400       4.345500       2.025800    
 H   -6.210000       4.985200       1.215700    
 H   -4.709600       4.800300      0.3063000    
 H    9.155300      0.4772000     -0.3567000    
 H   -9.155200     -0.4772000     -0.3569000    
 H    8.532500       2.798200     -0.9463000    
 H   -8.532500      -2.798200     -0.9462000    


%chk=000020178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020178

0 1
O 3.695248 3.054506 -0.997740
O -3.695266 -3.054495 -0.997762
N 4.787631 -2.154720 0.595998
N -4.787645 2.154724 0.596004
N 3.486636 -2.623212 0.789142
N -3.486653 2.623212 0.789153
C 3.506245 -0.415599 0.104115
C -3.506263 0.415598 0.104131
C 4.847650 -0.821142 0.180651
C -4.847667 0.821144 0.180663
C 3.002484 0.846495 -0.272711
C -3.002503 -0.846496 -0.272697
C 0.741436 -0.101417 0.104071
C -0.741453 0.101417 0.104074
C 2.690088 -1.524282 0.474676
C -2.690104 1.524282 0.474687
C 5.906986 0.118897 -0.154664
C -5.907004 -0.118892 -0.154659
C 1.604971 0.991855 -0.273170
C -1.604990 -0.991855 -0.273165
C 1.279444 -1.361152 0.478733
C -1.279460 1.361152 0.478738
C 5.468010 1.441489 -0.556133
C -5.468028 -1.441483 -0.556132
C 4.014806 1.873330 -0.637673
C -4.014826 -1.873333 -0.637650
C 5.925157 -3.075113 0.836676
C -5.925171 3.075117 0.836677
C 7.302168 -0.158650 -0.117899
C -7.302185 0.158656 -0.117901
C 6.440362 2.413446 -0.898842
C -6.440380 -2.413435 -0.898855
C 5.484606 -4.475346 1.278529
C -5.484619 4.475364 1.278486
C 8.244610 0.828500 -0.464526
C -8.244627 -0.828489 -0.464541
C 7.816296 2.120421 -0.857123
C -7.816314 -2.120407 -0.857145
H 1.173365 1.945983 -0.592893
H -1.173385 -1.945982 -0.592891
H 0.621991 -2.179295 0.788210
H -0.622007 2.179296 0.788212
H 6.511814 -3.136445 -0.100063
H 6.572250 -2.616300 1.608837
H -6.511842 3.136423 -0.100055
H -6.572251 2.616322 1.608860
H 7.658754 -1.147465 0.181840
H -7.658772 1.147469 0.181844
H 6.076797 3.402293 -1.197671
H -6.076815 -3.402282 -1.197684
H 4.910939 -4.436992 2.217810
H 6.384901 -5.096907 1.433539
H 4.847329 -4.953163 0.517983
H -4.910942 4.437037 2.217762
H -6.384914 5.096927 1.433490
H -4.847353 4.953161 0.517920
H 9.313765 0.592275 -0.429249
H -9.313781 -0.592262 -0.429269
H 8.551525 2.885737 -1.125957
H -8.551542 -2.885720 -1.125990


