%chk=000048736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048736

0 1
 O  -0.4066000       2.310800      8.9999998E-04
 O   0.3410000      -2.311700     -0.3515000    
 O    3.858400      0.6321000     -0.2202000    
 N    1.725000       1.462600     -9.8999999E-03
 N    2.098300     -0.8464000     -0.1866000    
 C  -0.1476000     -6.4099997E-02  0.4167000    
 C   -1.565000     -0.2506000     -0.1440000    
 C  -0.1870000     -0.1877000       1.950400    
 C   -1.593900     -8.8900000E-02  -1.678400    
 C   -2.559700      0.7468000      0.4859000    
 C   0.3473000       1.342300      9.4400004E-02
 C   0.7552000      -1.180800     -9.8200001E-02
 C  -0.6375000      -1.568600       2.370500    
 C  -0.7058000      -1.079300      -2.418800    
 C   -3.968600      0.6544000     -8.3499998E-02
 C    2.646600      0.4292000     -0.1277000    
 H   -1.938500      -1.263300      5.1700000E-02
 H  -0.7954000      0.5872000       2.427900    
 H   0.8213000     -3.0700000E-02   2.359100    
 H   -2.610100     -0.2685000      -2.047700    
 H   -1.336900      0.9304000      -1.987100    
 H   -2.667300      0.5211000       1.552300    
 H   -2.315800       1.801400      0.4243000    
 H   -1.642100      -1.828800       2.030900    
 H   5.9400000E-02  -2.360000       2.083600    
 H  -0.6774000      -1.599900       3.466500    
 H  -0.9337000      -2.118500      -2.171800    
 H  -0.9516000     -0.9962000      -3.487100    
 H   0.3573000     -0.8403000      -2.385900    
 H   -4.665400       1.211200      0.5529000    
 H   -4.314800     -0.3831000     -0.1253000    
 H   -4.033200       1.092000      -1.084300    
 H    2.093600       2.406300     -8.7800004E-02
 H    2.742000      -1.604600     -0.3949000    


%chk=000048736-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048736

0 1
O -0.131813 2.372009 0.095016
O 0.281113 -2.470112 -0.014178
O 3.966884 0.294252 -0.547484
N 1.876237 1.287201 -0.208522
N 2.093585 -1.058553 -0.181508
C -0.149160 -0.075508 0.415650
C -1.583169 -0.221543 -0.239251
C -0.173123 -0.087102 2.012381
C -1.582014 0.113933 -1.763032
C -2.691922 0.602637 0.478316
C 0.492669 1.279725 0.067781
C 0.717016 -1.290654 0.029085
C -0.802355 -1.331801 2.668603
C -0.569895 -0.640981 -2.654107
C -4.121575 0.233133 0.017746
C 2.736499 0.181493 -0.321970
H -1.828547 -1.297486 -0.126851
H -0.707484 0.827026 2.327446
H 0.870945 0.022546 2.369748
H -2.595672 -0.111410 -2.142542
H -1.444309 1.206528 -1.885785
H -2.640061 0.435353 1.569416
H -2.507072 1.680078 0.317518
H -1.859488 -1.461448 2.381019
H -0.269868 -2.258308 2.398015
H -0.762529 -1.219198 3.767650
H -0.655910 -1.735313 -2.530596
H -0.753096 -0.401311 -3.717638
H 0.479134 -0.358210 -2.444276
H -4.872266 0.747077 0.645772
H -4.300889 -0.856195 0.101301
H -4.314224 0.528078 -1.028685
H 2.311404 2.204946 -0.350767
H 2.682456 -1.885081 -0.327971


