%chk=000045150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045150

0 1
 O   0.7349000      0.6605000       1.054500    
 O   -2.703000      0.6322000      7.7600002E-02
 O   -1.518100     -0.7362000       1.509900    
 N   -6.269000     -0.2567000     -0.2319000    
 C   -5.037200      0.4846000     -0.4590000    
 C    2.797400     -0.1974000      0.1352000    
 C    4.036600      7.1000002E-02 -0.4935000    
 C   -3.894100     -0.1152000      0.3440000    
 C    1.940300      0.8705000      0.4472000    
 C    2.451900      -1.525700      0.4332000    
 C    4.382100       1.399100     -0.7919000    
 C    2.299800       2.184100      0.1438000    
 C    4.893700     -0.9968000     -0.8056000    
 C   -6.099800      -1.666000     -0.5940000    
 C   -7.375100      0.3310000     -0.9918000    
 C    3.518300       2.447900     -0.4747000    
 C  -0.4258000       1.090500      0.3494000    
 C    3.315900      -2.574200      0.1162000    
 C    4.534600      -2.310200     -0.5020000    
 C   -1.583300      0.2071000      0.7334000    
 H   -5.161400       1.532000     -0.1551000    
 H   -4.765100      0.5097000      -1.523100    
 H   -3.685900      -1.149700      5.4200001E-02
 H   -4.114900     -7.3700003E-02   1.417600    
 H    1.507200      -1.766500      0.9158000    
 H    5.329700       1.628800      -1.274700    
 H    1.644300       3.014200      0.3927000    
 H    5.851100     -0.8139000      -1.289200    
 H   -7.067800      -2.182000     -0.5781000    
 H   -5.486000      -2.204100      0.1349000    
 H   -5.673600      -1.793900      -1.595800    
 H   -8.313900     -0.1892000     -0.7713000    
 H   -7.201400      0.2892000      -2.073300    
 H   -7.523800       1.378300     -0.7059000    
 H    3.798700       3.470800     -0.7087000    
 H  -0.6568000       2.120900      0.6379000    
 H  -0.2793000       1.011100     -0.7345000    
 H    3.036900      -3.597000      0.3521000    
 H    5.206700      -3.127000     -0.7486000    


%chk=000045150-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045150

0 1
O 0.733513 -0.208424 0.015405
O -2.837014 0.355537 -0.060707
O -1.619272 -1.512735 0.645432
N -6.553839 -0.131147 -0.162980
C -5.226029 0.462836 -0.439007
C 3.119916 -0.368058 -0.013710
C 4.422160 0.227631 -0.217798
C -4.118909 -0.352448 0.240017
C 1.952503 0.457028 -0.206175
C 3.019839 -1.743415 0.371284
C 4.518035 1.608156 -0.601978
C 2.066180 1.800902 -0.581282
C 5.585525 -0.588880 -0.026393
C -6.824453 -1.351900 -0.952028
C -7.651960 0.850608 -0.277294
C 3.364204 2.370173 -0.777753
C -0.485605 0.564843 -0.128105
C 4.175145 -2.510392 0.548952
C 5.467036 -1.929623 0.348604
C -1.661107 -0.350234 0.205497
H -5.206774 1.486822 -0.024148
H -5.007138 0.546685 -1.532901
H -4.043533 -1.387236 -0.136296
H -4.263517 -0.382040 1.333590
H 2.025947 -2.173917 0.523252
H 5.508150 2.052056 -0.754665
H 1.183344 2.429231 -0.730852
H 6.574409 -0.140535 -0.180090
H -7.790953 -1.783920 -0.638218
H -6.046412 -2.112948 -0.771513
H -6.871332 -1.158157 -2.053927
H -8.601264 0.378217 0.032782
H -7.789968 1.247754 -1.314842
H -7.462353 1.705138 0.395914
H 3.438307 3.422911 -1.071495
H -0.499055 1.431611 0.564953
H -0.607267 0.950131 -1.160549
H 4.093951 -3.562171 0.844253
H 6.364387 -2.541989 0.491672


