%chk=000017734.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017734

0 1
 O    4.214500      -2.863800      0.5725000    
 O    3.033200       3.501800     -0.4782000    
 O   -2.153300       2.623900      0.7686000    
 O   -3.824700       1.262200      0.3544000    
 N    1.999800      4.8000002E-03 -3.0300001E-02
 N   -3.494400      -1.096400     -0.3631000    
 N   -2.596900       1.502500      0.4274000    
 C   0.6179000     -0.2651000     -0.1117000    
 C    2.968700      -1.026300     -0.3445000    
 C    2.469100       1.320900      0.3552000    
 C  -0.3073000      0.7336000      0.1925000    
 C   0.1765000      -1.531100     -0.4967000    
 C    3.290700      -1.833900      0.9014000    
 C    2.606600       2.204000     -0.8733000    
 C   -1.674000      0.4661000      0.1115000    
 C   -2.115300     -0.8000000     -0.2735000    
 C   -1.190100      -1.798600     -0.5776000    
 C   -4.021000      -2.404600     -0.1348000    
 H    3.901000     -0.5571000     -0.6895000    
 H    2.692300      -1.659300      -1.195100    
 H    3.464900       1.229300      0.8123000    
 H    1.888000       1.794400       1.154300    
 H   1.1000000E-02   1.729900      0.4748000    
 H   0.8415000      -2.354200     -0.7318000    
 H    2.398000      -2.309500       1.318700    
 H    3.731000      -1.209000       1.685700    
 H    1.654900       2.314200      -1.401800    
 H    3.335700       1.799500      -1.583400    
 H   -1.499000      -2.793100     -0.8863000    
 H   -4.151300     -0.3275000     -0.3869000    
 H    5.019400      -2.437600      0.2317000    
 H    3.894100       3.405400     -3.6499999E-02
 H   -3.658600      -2.825900      0.8089000    
 H   -3.774500      -3.086900     -0.9542000    
 H   -5.113200      -2.356100     -7.4400000E-02


%chk=000017734-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017734

0 1
O 4.255261 -3.022040 0.535320
O 3.059509 3.653899 -0.525554
O -2.098237 2.770468 0.627262
O -3.900839 1.389192 0.393257
N 2.034283 0.019821 -0.021182
N -3.555142 -1.149954 -0.121026
N -2.595211 1.594654 0.403544
C 0.649444 -0.248708 -0.048601
C 3.022738 -1.026299 -0.321783
C 2.536722 1.361917 0.312316
C -0.313081 0.760450 0.175313
C 0.151121 -1.573717 -0.304329
C 3.364952 -1.913036 0.904522
C 2.587134 2.317967 -0.908932
C -1.703264 0.475276 0.158353
C -2.210824 -0.851544 -0.098962
C -1.215157 -1.855985 -0.331102
C -4.092037 -2.481726 -0.383045
H 3.948721 -0.540549 -0.688060
H 2.676216 -1.678267 -1.145166
H 3.557882 1.260494 0.731405
H 1.921755 1.825453 1.105752
H -0.042006 1.800690 0.364890
H 0.844625 -2.401214 -0.480703
H 2.456402 -2.401138 1.291629
H 3.796589 -1.292375 1.718154
H 1.576579 2.484890 -1.313593
H 3.215863 1.875328 -1.711407
H -1.534857 -2.882736 -0.529629
H -4.170226 -0.339235 0.054507
H 5.151260 -2.667208 0.307364
H 4.009273 3.603102 -0.248330
H -3.748373 -3.222839 0.366329
H -3.810468 -2.854236 -1.388634
H -5.191405 -2.434297 -0.333579


