%chk=000133308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133308

0 1
 O  -0.2119000      -1.283500     -0.1776000    
 O    2.912400       1.160600      -2.244200    
 O    1.809000      8.5100003E-02   2.094000    
 O   0.6882000      -3.019400       1.046500    
 O   -1.506900       1.549700       1.536000    
 O   -3.573700      -1.381300      -1.350500    
 N    2.510100      0.1972000     -0.1434000    
 N   -2.253900     -0.2504000      0.2289000    
 C    2.990600      -1.141900     -0.3546000    
 C    1.890500      -2.072800     -0.8476000    
 C   -1.370900      -1.294700      0.6590000    
 C    2.517400       1.194000      -1.091100    
 C    1.977600      0.6648000       1.034600    
 C   0.7457000      -2.207400      0.1335000    
 C    1.938200       2.386000     -0.4528000    
 C    1.619100       2.073100      0.8038000    
 C   -2.235400       1.044900      0.6986000    
 C   -3.246800     -0.3931000     -0.7152000    
 C   -3.300700       1.769600     -1.1000000E-02
 C   -3.898700      0.9195000     -0.8467000    
 H    3.800600      -1.115600      -1.091600    
 H    3.393500      -1.517500      0.5929000    
 H    1.494100      -1.735300      -1.813200    
 H    2.295700      -3.076500      -1.020500    
 H   -1.075100      -1.111000       1.697600    
 H   -1.879000      -2.260300      0.5634000    
 H    1.807400       3.337100     -0.9405000    
 H    1.178600       2.719800       1.543600    
 H   -3.535900       2.809700      0.1391000    
 H   -4.718200       1.129400      -1.513100    


%chk=000133308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133308

0 1
O -0.213384 -1.115149 -0.231062
O 3.407744 1.157591 -2.067631
O 1.604912 -0.083551 2.083944
O 0.447576 -3.210256 0.568223
O -1.409908 1.870883 1.054215
O -3.776674 -1.773814 -0.742982
N 2.625554 0.175197 -0.048555
N -2.329875 -0.201976 0.316230
C 2.979163 -1.218473 -0.329574
C 1.852804 -2.004218 -1.068658
C -1.314577 -1.106038 0.784469
C 2.844714 1.254573 -0.948969
C 1.943186 0.634413 1.110271
C 0.650829 -2.223132 -0.169841
C 2.273664 2.478023 -0.280819
C 1.740537 2.115798 0.917837
C -2.296470 1.216718 0.456917
C -3.476275 -0.596489 -0.444492
C -3.524518 1.730096 -0.247807
C -4.209042 0.676741 -0.772947
H 3.876808 -1.209689 -0.971409
H 3.222781 -1.714064 0.626062
H 1.563499 -1.455955 -1.980012
H 2.252092 -2.993356 -1.349349
H -0.878555 -0.749623 1.732425
H -1.725618 -2.123708 0.883383
H 2.307266 3.459996 -0.752085
H 1.223431 2.722694 1.659299
H -3.761662 2.793271 -0.286655
H -5.138401 0.673301 -1.342526


