%chk=000002785.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002785

0 1
 O    4.341500       1.575600      -1.759900    
 O    2.268500       1.917800       1.657900    
 O   0.6015000       3.650300      0.1386000    
 O   -2.122200       3.138400       1.209000    
 N    2.155400      0.7921000     -0.3963000    
 N    5.731200      0.7085000     -0.1234000    
 N   -3.082000       1.926400     -0.5216000    
 N   -4.447600     -0.6964000      0.6128000    
 C    3.343000     -2.0900000E-02 -0.2742000    
 C    3.211700      -1.318900      -1.080600    
 C    2.354900      -2.353300     -0.3918000    
 C    4.511300      0.8155000     -0.8001000    
 C    2.937800      -3.273500      0.4797000    
 C   0.9803000      -2.388900     -0.6263000    
 C    1.748400       1.671000      0.5811000    
 C    6.906000       1.487600     -0.4965000    
 C    5.924200     -0.1923000       1.010300    
 C   0.5090000       2.434000      0.2124000    
 C  -0.7351000       1.624100     -5.1300000E-02
 C   -4.422700       2.439000     -0.3629000    
 C    2.146200      -4.229300       1.116300    
 C   0.1887000      -3.344800      1.0600000E-02
 C   -5.260900       1.599600      0.5983000    
 C   0.7718000      -4.264900      0.8818000    
 C   -2.032800       2.326900      0.2905000    
 C   -5.391200      0.1607000      0.1629000    
 C   -6.445400     -0.2072000     -0.6576000    
 C   -6.537100      -1.540600      -1.040800    
 C   -4.569300      -1.984100      0.2195000    
 C   -5.585200      -2.452400     -0.5982000    
 H    3.466400     -0.2298000      0.7919000    
 H    2.809000      -1.117000      -2.082700    
 H    4.204200      -1.754500      -1.258200    
 H    1.642800      0.7602000      -1.273200    
 H    4.007200      -3.256800      0.6714000    
 H   0.5133000      -1.677800      -1.302500    
 H    7.231700       2.072800      0.3683000    
 H    6.681000       2.166000      -1.323300    
 H    7.701800      0.8031000     -0.8042000    
 H    5.441700      -1.154600      0.8295000    
 H    5.497400      0.2757000       1.902000    
 H    6.991200     -0.3730000       1.172900    
 H  -0.7034000      0.7126000      0.5569000    
 H  -0.7233000       1.334400      -1.107500    
 H   -4.877500       2.452700      -1.359400    
 H   -4.372300       3.472200     -2.0999999E-03
 H   -4.806100       1.619000       1.597100    
 H   -6.256700       2.046200      0.7075000    
 H    2.600000      -4.945600       1.795000    
 H  -0.8818000      -3.371900     -0.1713000    
 H   0.1553000      -5.008800       1.377800    
 H   -2.920600       1.233400      -1.246500    
 H   -7.181900      0.5122000     -0.9992000    
 H   -7.348400      -1.868600      -1.683800    
 H   -3.801000      -2.654500      0.5905000    
 H   -5.636400      -3.496600     -0.8847000    


%chk=000002785-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000002785

0 1
O 3.575676 -2.347574 -1.737004
O 2.853998 2.038000 -0.671105
O 0.049978 2.770357 -0.795066
O -0.511192 -1.248292 -0.222371
N 2.045641 -0.134321 -0.328909
N 5.180560 -0.653642 -1.691184
N -2.499554 -0.204676 -0.829800
N -4.867952 1.002525 -1.528807
C 3.352099 -0.701094 0.055038
C 3.167513 -1.848045 1.092190
C 2.617733 -1.368209 2.427201
C 4.048130 -1.288742 -1.206024
C 3.497496 -0.887829 3.432101
C 1.223838 -1.376476 2.693393
C 1.906019 1.188226 -0.654501
C 5.895934 -1.264310 -2.828236
C 5.738828 0.612413 -1.165478
C 0.467484 1.617019 -1.045927
C -0.406172 0.610360 -1.830146
C -3.364514 -1.038523 0.023070
C 3.002679 -0.424447 4.671485
C 0.725986 -0.914127 3.933084
C -4.713515 -1.318855 -0.683902
C 1.611540 -0.436213 4.926311
C -1.151422 -0.359523 -0.893673
C -5.536530 -0.073136 -0.989926
C -6.933465 -0.024702 -0.756390
C -7.655635 1.142468 -1.090406
C -5.570878 2.127834 -1.840811
C -6.964629 2.242969 -1.645515
H 3.949442 0.110644 0.500810
H 2.518626 -2.616188 0.634182
H 4.158352 -2.318007 1.237781
H 1.202311 -0.753625 -0.306209
H 4.579245 -0.884093 3.244244
H 0.527331 -1.736154 1.926903
H 5.860543 -0.599745 -3.712545
H 5.407533 -2.219354 -3.073819
H 6.955005 -1.444673 -2.563268
H 6.423696 0.437733 -0.311862
H 4.934783 1.307954 -0.871047
H 6.318105 1.095918 -1.970997
H 0.230958 0.003993 -2.498147
H -1.122092 1.194465 -2.431469
H -3.543176 -0.528111 0.991020
H -2.833124 -1.981360 0.237620
H -4.504264 -1.852858 -1.632335
H -5.309829 -2.003052 -0.053804
H 3.697661 -0.059493 5.436568
H -0.353609 -0.926671 4.123237
H 1.223886 -0.078934 5.887266
H -3.023009 0.536030 -1.340645
H -7.441239 -0.890466 -0.319333
H -8.735587 1.193574 -0.916798
H -4.989485 2.957474 -2.257192
H -7.484234 3.166563 -1.916451


