%chk=000047544.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047544

0 1
 O   -1.399400      -1.034500       1.119200    
 O   -1.625400     -0.9412000      -1.278900    
 N    2.397500      7.3600002E-02 -0.3863000    
 C   0.9461000     -2.2700001E-02 -0.2333000    
 C    3.077800     -0.6341000      0.7075000    
 C    2.815400       1.481200     -0.4493000    
 C    4.596900     -0.5851000      0.5360000    
 C    4.325800       1.599400     -0.6584000    
 C   0.5104000      -1.481900     -0.2897000    
 C    5.096000      0.8509000      0.4235000    
 C   -1.006300      -1.608800     -0.1517000    
 C   -1.429600      -3.077100     -0.1689000    
 C   -2.241500     -4.2500000E-02  0.7172000    
 C   -2.370500      1.0800000E-02 -0.6518000    
 C   -2.912200      0.8344000       1.544500    
 C   -3.177100      0.9442000      -1.269500    
 C   -3.736200       1.789400      0.9444000    
 C   -3.867900       1.844000     -0.4545000    
 H   0.6335000      0.4485000      0.7066000    
 H   0.4722000      0.5287000      -1.053900    
 H    2.838900      -1.700000      0.7245000    
 H    2.800800     -0.2135000       1.683100    
 H    2.528300       2.015600      0.4660000    
 H    2.316100       1.980900      -1.288400    
 H    4.884400      -1.142900     -0.3646000    
 H    5.082500      -1.078300       1.385800    
 H    4.618300       2.655600     -0.6565000    
 H    4.593100       1.195300      -1.643200    
 H   0.8406000      -1.927700      -1.236600    
 H   0.9390000      -2.059800      0.5338000    
 H    4.964300       1.360600       1.385800    
 H    6.167900      0.8604000      0.1975000    
 H   -2.518500      -3.162300     -7.5700000E-02
 H   -1.147700      -3.561500      -1.109600    
 H  -0.9906000      -3.629300      0.6685000    
 H   -2.807500      0.7892000       2.622500    
 H   -3.275400      0.9829000      -2.348300    
 H   -4.281000       2.497700       1.562700    
 H   -4.513200       2.593900     -0.9038000    


%chk=000047544-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047544

0 1
O -1.423984 -1.007881 1.061902
O -1.583852 -0.608192 -1.305644
N 2.588679 0.015489 -0.292046
C 1.104163 -0.006718 -0.259424
C 3.193841 -0.380147 1.006817
C 3.121443 1.327187 -0.744996
C 4.727691 -0.494292 0.895407
C 4.653294 1.272880 -0.917291
C 0.558559 -1.446368 -0.361372
C 5.338901 0.834921 0.397833
C -0.964519 -1.537489 -0.282248
C -1.548766 -2.934272 -0.479763
C -2.439156 -0.065380 0.785236
C -2.532989 0.169876 -0.605745
C -3.253282 0.603092 1.703546
C -3.445827 1.083270 -1.140144
C -4.190801 1.534945 1.174211
C -4.285188 1.769644 -0.217242
H 0.698373 0.481374 0.660295
H 0.730121 0.566739 -1.126356
H 2.769542 -1.350538 1.322386
H 2.937277 0.365958 1.806795
H 2.864772 2.142777 -0.016489
H 2.640384 1.582408 -1.707639
H 4.973395 -1.305377 0.182979
H 5.148296 -0.772598 1.881133
H 5.022661 2.265489 -1.240190
H 4.893206 0.547136 -1.718491
H 0.893292 -1.891195 -1.316052
H 0.962644 -2.077299 0.452058
H 5.189478 1.619165 1.169059
H 6.430659 0.730620 0.250604
H -2.647441 -2.904637 -0.385693
H -1.288598 -3.313728 -1.482517
H -1.146867 -3.624962 0.281218
H -3.169619 0.416344 2.777507
H -3.508005 1.259218 -2.217381
H -4.849533 2.076027 1.861409
H -5.016442 2.490511 -0.597474


