%chk=000090322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090322

0 1
 O    3.074600      -1.402300      0.3838000    
 O    3.067700       1.417500     -0.3831000    
 O   -2.218500      -2.631200     -7.9599999E-02
 O   -2.231900       2.619800      7.9200000E-02
 O   -3.265000     -8.2000000E-03  1.4000000E-03
 N   0.7498000      -3.232400     -4.0300000E-02
 N   0.7325000       3.235800      3.7700001E-02
 C    1.949600      -3.516300      0.7514000    
 C    1.931400       3.525000     -0.7534000    
 C  -0.3610000      -4.101300      0.3623000    
 C  -0.3823000       4.099000     -0.3660000    
 C    3.163700      -2.809000      0.1547000    
 C    3.148600       2.824800     -0.1547000    
 C   -1.578100      -3.829000     -0.5168000    
 C   -1.598100       3.822100      0.5136000    
 C    4.172700     -0.7156000     -0.2204000    
 C    4.167600      0.7372000      0.2252000    
 C   -3.186500      -2.179800      -1.026200    
 C   -3.196300       2.164500       1.027600    
 C   -4.067500      -1.127400     -0.3744000    
 C   -4.072800       1.106800      0.3783000    
 H    2.151200      -4.593900      0.7484000    
 H    1.793900      -3.192500       1.786900    
 H    2.127400       4.603500     -0.7516000    
 H    1.778200       3.199100      -1.788600    
 H  -0.6094000      -3.932300       1.416400    
 H  -6.7500003E-02  -5.148900      0.2302000    
 H  -0.6299000       3.927400      -1.419800    
 H  -9.3800001E-02   5.148200     -0.2354000    
 H    4.069100      -3.187700      0.6435000    
 H    3.240400      -3.012100     -0.9207000    
 H    4.052600       3.208200     -0.6426000    
 H    3.222800       3.029100      0.9206000    
 H   0.4866000      -2.253500      6.8000004E-02
 H   0.4742000       2.255400     -7.0100002E-02
 H   -1.289000      -3.752900      -1.572700    
 H   -2.292000      -4.654300     -0.4139000    
 H   -1.308700       3.750200       1.569700    
 H   -2.316500       4.643300      0.4086000    
 H    4.074600     -0.7841000      -1.309600    
 H    5.112600      -1.183600      9.3699999E-02
 H    4.065100      0.8052000       1.314000    
 H    5.105900       1.210600     -8.5500002E-02
 H   -3.808200      -3.018500      -1.359700    
 H   -2.655300      -1.754600      -1.885000    
 H   -3.821900       3.000200       1.361200    
 H   -2.661700       1.742900       1.886000    
 H   -4.843100     -0.8126000      -1.081700    
 H   -4.538800      -1.533200      0.5277000    
 H   -4.845400      0.7881000       1.087200    
 H   -4.548000       1.509600     -0.5232000    


%chk=000090322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090322

0 1
O 2.986323 -1.498493 0.422411
O 2.979102 1.514369 -0.422524
O -2.224852 -2.817029 -0.002032
O -2.238598 2.805108 0.002160
O -3.130831 -0.008197 0.000121
N 0.711378 -3.436630 0.071914
N 0.694469 3.440490 -0.071739
C 1.984774 -3.689530 0.766537
C 1.966539 3.700374 -0.766214
C -0.393749 -4.339736 0.438414
C -0.415573 4.337533 -0.438293
C 3.135250 -2.928561 0.110090
C 3.120881 2.945119 -0.109957
C -1.610892 -4.079676 -0.448009
C -1.631292 4.070961 0.448128
C 4.007275 -0.702657 -0.265949
C 4.003732 0.723485 0.266071
C -3.070476 -2.213798 -1.034594
C -3.081497 2.197778 1.034557
C -3.954090 -1.147644 -0.405118
C -3.959742 1.127291 0.404923
H 2.208173 -4.773338 0.690921
H 1.966742 -3.435784 1.855222
H 2.184280 4.785305 -0.690167
H 1.949872 3.446952 -1.854999
H -0.713810 -4.258279 1.506839
H -0.058164 -5.384873 0.277732
H -0.735164 4.254285 -1.506720
H -0.085679 5.384483 -0.277648
H 4.114983 -3.289820 0.500645
H 3.101369 -3.089472 -0.989056
H 4.098776 3.311363 -0.500465
H 3.086210 3.105642 0.989222
H 0.431362 -2.447950 0.128459
H 0.419971 2.450267 -0.128369
H -1.275863 -4.001294 -1.504180
H -2.355691 -4.901641 -0.360071
H -1.295841 3.994347 1.504297
H -2.380415 4.888991 0.360199
H 3.825251 -0.692520 -1.361990
H 5.009951 -1.153251 -0.079547
H 3.821477 0.712450 1.362064
H 5.004249 1.178971 0.079944
H -3.729166 -2.986002 -1.494587
H -2.440846 -1.763492 -1.830804
H -3.744032 2.966784 1.494389
H -2.449848 1.750590 1.830929
H -4.711142 -0.827033 -1.158617
H -4.488326 -1.571133 0.474304
H -4.715506 0.803114 1.158196
H -4.495705 1.548085 -0.474740


