%chk=000102473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102473

0 1
 O   0.4376000     -0.5243000       2.230800    
 O  -6.3100003E-02   1.574900      -2.040400    
 O    3.510700      -1.130700      -1.210900    
 N    1.993900     -0.8403000      0.5389000    
 N    1.706100      0.2117000      -1.556500    
 C   5.9799999E-02  0.6817000      0.1940000    
 C   -1.326800      0.1121000      8.1600003E-02
 C   -1.447100      -1.207100     -0.6402000    
 C   4.3699998E-02   2.056800      0.8767000    
 C   -2.802800      -1.891200     -0.4453000    
 C   -3.947300     -0.8914000     -0.5594000    
 C   -2.398300      0.7430000      0.5928000    
 C   -3.802500      0.2291000      0.4704000    
 C   0.8314000     -0.2778000       1.085700    
 C   0.5394000      0.8714000      -1.227200    
 C    1.437500       2.641500      0.9587000    
 C    2.478200     -0.6256000     -0.7616000    
 C    2.749600      -1.734000       1.411900    
 H   -1.297300      -1.041000      -1.714300    
 H  -0.6725000      -1.910600     -0.3160000    
 H  -0.3377000       1.998200       1.904900    
 H  -0.5778000       2.777200      0.3279000    
 H   -2.923900      -2.688700      -1.187200    
 H   -2.834000      -2.368300      0.5427000    
 H   -4.908300      -1.399200     -0.4204000    
 H   -3.956400     -0.4634000      -1.570000    
 H   -2.335700       1.678100       1.136100    
 H   -4.125900     -0.1290000       1.455200    
 H   -4.469600       1.053600      0.1941000    
 H    2.119700       2.011400       1.537400    
 H    1.877100       2.812100     -2.8600000E-02
 H    1.398000       3.614500       1.461300    
 H    2.042100      0.3531000      -2.505300    
 H    3.656300      -2.115500      0.9370000    
 H    2.107500      -2.575700       1.691400    
 H    3.020800      -1.191300       2.323400    


%chk=000102473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102473

0 1
O 0.671585 -0.254005 2.349288
O 0.167200 1.816034 -2.024587
O 3.283540 -1.522832 -1.300781
N 1.932021 -0.931260 0.533233
N 1.682580 0.133505 -1.587791
C 0.071655 0.797914 0.217865
C -1.339656 0.151888 0.075939
C -1.402306 -1.154462 -0.714317
C 0.053390 2.204162 0.898548
C -2.716447 -1.929135 -0.464131
C -3.933180 -0.985835 -0.577013
C -2.450925 0.711737 0.621782
C -3.847446 0.130461 0.489252
C 0.905613 -0.147958 1.117377
C 0.625799 0.976822 -1.208417
C 1.447559 2.855718 1.017124
C 2.357064 -0.826635 -0.810881
C 2.644982 -1.886555 1.416891
H -1.303760 -0.934987 -1.798855
H -0.540753 -1.802948 -0.454683
H -0.379745 2.081467 1.906306
H -0.612028 2.851998 0.301483
H -2.801507 -2.764065 -1.184935
H -2.693015 -2.373873 0.550592
H -4.877325 -1.550348 -0.460814
H -3.948210 -0.530991 -1.587229
H -2.372649 1.638356 1.201776
H -4.165071 -0.263071 1.478786
H -4.558809 0.946180 0.249984
H 2.134520 2.245201 1.631916
H 1.911084 3.019924 0.027017
H 1.360115 3.842221 1.505909
H 2.025662 0.225125 -2.550213
H 3.375628 -2.433975 0.805347
H 1.920245 -2.580657 1.871347
H 3.154991 -1.339820 2.226484


