%chk=000112681.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112681

0 1
 O   0.5932000      -1.636500     -0.5169000    
 O    4.840500      0.2170000      3.4800000E-02
 O    3.021900       1.618800     -0.1725000    
 O   -5.775200      0.1062000      0.8324000    
 O   -5.570700      0.9983000      -1.163100    
 N   0.5136000      0.4909000      0.4429000    
 N   -5.067700      0.5461000     -0.1061000    
 C    2.683500     -0.7461000      0.1122000    
 C    1.187800     -0.5451000      4.8500001E-02
 C  -0.8830000      0.5049000      0.3056000    
 C   -1.459600       1.003200     -0.8601000    
 C   -1.685400      2.0600000E-02   1.335500    
 C   0.7708000      -2.899700      0.1386000    
 C    3.510400      0.5028000     -4.3200001E-02
 C   -3.654700      0.5319000      3.2400001E-02
 C   -2.847700       1.016500     -0.9970000    
 C   -3.073700      3.4100000E-02   1.198700    
 C    5.719900       1.343000     -4.4500001E-02
 C   2.5100000E-02  -3.965900     -0.6354000    
 C    7.150800      0.8592000      5.7100002E-02
 H    2.991800      -1.422500     -0.6933000    
 H    2.918700      -1.190700       1.085100    
 H    1.829400      -3.173100      0.1802000    
 H   0.3781000      -2.831100       1.158800    
 H  -0.8379000       1.382700      -1.666700    
 H   -1.240700     -0.3695000       2.247200    
 H   -3.265300       1.411900      -1.919400    
 H   -3.670700     -0.3515000       2.021200    
 H    5.570100       1.856900      -1.000500    
 H    5.503700       2.034000      0.7779000    
 H   0.1320000      -4.943700     -0.1574000    
 H   -1.039800      -3.719200     -0.7014000    
 H   0.4009000      -4.030700      -1.661800    
 H    7.851800       1.696600     -9.9999997E-05
 H    7.311600      0.3271000       1.000600    
 H    7.376900      0.1529000     -0.7486000    


%chk=000112681-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112681

0 1
O 0.616178 -2.044002 -0.429736
O 4.399983 0.241265 0.523070
O 3.625547 -0.962801 -1.312779
O -5.462872 2.197889 1.215409
O -5.481204 1.318723 -0.891081
N 0.450907 -0.226778 1.071330
N -4.900389 1.557371 0.241139
C 2.619281 -1.313446 0.929005
C 1.155938 -1.170548 0.516133
C -0.883977 0.137327 0.795084
C -1.574048 -0.101604 -0.435076
C -1.549868 0.864168 1.827122
C 1.379959 -3.233384 -0.932302
C 3.574267 -0.685309 -0.089999
C -3.520496 1.072498 0.432236
C -2.883346 0.372475 -0.618121
C -2.864357 1.323484 1.660454
C 5.387073 0.943642 -0.366688
C 0.512454 -3.873076 -2.011650
C 6.154821 1.919039 0.517013
H 2.897035 -2.377922 1.039632
H 2.743889 -0.811113 1.896792
H 2.346208 -2.883154 -1.334834
H 1.539693 -3.926854 -0.083505
H -1.076648 -0.659620 -1.230353
H -0.998463 1.057113 2.751826
H -3.427007 0.203691 -1.551525
H -3.387139 1.875362 2.445583
H 6.036864 0.177971 -0.827314
H 4.820098 1.447210 -1.169694
H 1.015108 -4.775473 -2.405097
H -0.470313 -4.169297 -1.607294
H 0.353891 -3.173700 -2.849718
H 6.895326 2.468025 -0.092573
H 5.473256 2.653203 0.978669
H 6.692751 1.387925 1.320539


