%chk=000058010.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058010

0 1
 O    1.317300     -0.4270000      0.1752000    
 O   -2.131100       1.755800      0.3851000    
 O   0.3640000       1.303000       1.357400    
 N    4.996800     -0.3066000     -5.4000001E-03
 N   -4.625300      -2.240700     -0.5730000    
 C    3.643200     -0.8147000     -0.2261000    
 C    2.615300      9.4099998E-02  0.4289000    
 C   -1.017700     -0.3680000      0.3659000    
 C   -2.154500      0.4026000      0.2249000    
 C    5.126400       1.049800     -0.5363000    
 C    5.982600      -1.193300     -0.6225000    
 C   0.2768000      0.2781000      0.6991000    
 C   -1.037800      -1.739900      0.2056000    
 C   -3.360800     -0.2234000     -8.9000002E-02
 C   -3.405700      -1.607500     -0.2556000    
 C   -2.244200      -2.365800     -0.1083000    
 C   -2.527800       2.547100     -0.7329000    
 C   -1.817500       3.856400     -0.6931000    
 H    3.541500      -1.820100      0.2028000    
 H    3.416300     -0.9173000      -1.296100    
 H    2.637000       1.105500      1.1900000E-02
 H    2.783800      0.1444000       1.511600    
 H    4.770300       1.133500      -1.569600    
 H    4.608800       1.784500      8.8200003E-02
 H    6.177200       1.365000     -0.5233000    
 H    7.000100     -0.8475000     -0.4088000    
 H    5.903800      -2.204600     -0.2081000    
 H    5.860300      -1.255500      -1.710000    
 H  -0.1528000      -2.357000      0.3287000    
 H   -4.270000      0.3637000     -0.1955000    
 H   -2.267200      -3.445500     -0.2325000    
 H   -2.293900       2.035200      -1.675000    
 H   -3.610600       2.706700     -0.6844000    
 H   -2.110700       4.492100      -1.533600    
 H   -2.033000       4.389800      0.2388000    
 H  -0.7322000       3.712300     -0.7274000    
 H   -4.658300      -3.244300     -0.6931000    
 H   -5.468100      -1.692000     -0.6794000    


%chk=000058010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058010

0 1
O 1.538058 -0.319059 -0.091861
O -2.077842 1.963619 -0.160118
O 0.661098 1.836732 0.009515
N 5.276482 -0.399142 0.088576
N -4.491582 -2.271081 -0.637590
C 3.882263 -0.858961 -0.113129
C 2.881608 0.291823 0.052481
C -0.837238 -0.108333 -0.234107
C -2.101261 0.576106 -0.266210
C 5.787530 0.423946 -1.027509
C 6.191607 -1.513088 0.409220
C 0.453419 0.603350 -0.095387
C -0.863090 -1.527796 -0.341707
C -3.307945 -0.149676 -0.400644
C -3.298508 -1.567162 -0.506130
C -2.050481 -2.256015 -0.474796
C -3.356180 2.704018 -0.184257
C -2.996464 4.180583 -0.043205
H 3.655228 -1.622724 0.653064
H 3.730535 -1.339358 -1.113062
H 2.997216 1.083351 -0.709266
H 2.976587 0.756019 1.049987
H 5.828267 -0.132907 -1.999166
H 5.155822 1.316676 -1.171486
H 6.808333 0.772106 -0.789222
H 7.195798 -1.112571 0.637831
H 5.827375 -2.049933 1.303061
H 6.300450 -2.256553 -0.422005
H 0.095743 -2.050851 -0.316366
H -4.267251 0.376022 -0.425044
H -2.024419 -3.348676 -0.554096
H -3.881825 2.505332 -1.141501
H -3.998685 2.361903 0.653691
H -3.912617 4.799168 -0.056877
H -2.461009 4.358628 0.904225
H -2.340358 4.498207 -0.870700
H -4.488122 -3.284244 -0.711215
H -5.386242 -1.790558 -0.659897


