%chk=000087252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087252

0 1
 O   -4.331200      0.3903000     -0.1044000    
 O   0.2856000       1.456700     -8.2500003E-02
 O   -3.322400      -1.601800      0.4352000    
 N    1.353800     -0.6299000     -0.2091000    
 N  -0.9247000     -0.4857000     -0.3903000    
 N   -2.120400      0.1843000     -0.4212000    
 C    2.720200     -0.2995000     -5.7100002E-02
 C    3.669000      -1.309100     -8.0100000E-02
 C    3.083400       1.027100      0.1110000    
 C    5.017100     -0.9834000      6.9399998E-02
 C    4.431500       1.352600      0.2603000    
 C   0.2565000      0.2351000     -0.2139000    
 C    5.398400      0.3473000      0.2395000    
 C   -5.593100     -0.1432000      0.3122000    
 C   -6.661800      0.9118000      0.1214000    
 C   -3.261800     -0.4524000      9.7000003E-03
 H    3.383000      -2.348900     -0.2122000    
 H    2.396500       1.859900      0.1378000    
 H    1.150900      -1.619200     -0.3292000    
 H    5.770000      -1.766100      5.3199999E-02
 H    4.730000       2.388600      0.3928000    
 H    6.448000      0.6009000      0.3558000    
 H   -5.832800      -1.026200     -0.2907000    
 H   -5.538200     -0.4276000       1.369000    
 H  -0.9465000      -1.491200     -0.5218000    
 H   -2.119700       1.134600     -0.7759000    
 H   -7.641300      0.5367000      0.4306000    
 H   -6.426300       1.808500      0.7040000    
 H   -6.716200       1.219700     -0.9280000    


%chk=000087252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087252

0 1
O -4.383682 0.440770 -0.003059
O 0.257057 1.434861 -0.040269
O -3.399900 -1.721561 0.030907
N 1.386783 -0.662103 0.001897
N -0.944218 -0.538243 -0.008012
N -2.126602 0.219212 -0.019862
C 2.753998 -0.263393 0.000501
C 3.729537 -1.297429 0.029362
C 3.168818 1.094912 -0.028022
C 5.102659 -0.980064 0.029758
C 4.548476 1.393430 -0.027233
C 0.259262 0.161797 -0.016520
C 5.523235 0.369971 0.001355
C -5.739944 -0.186349 0.010504
C -6.743648 0.958146 0.096440
C -3.318171 -0.457107 0.004309
H 3.412977 -2.348957 0.051936
H 2.417088 1.885898 -0.049908
H 1.229500 -1.672108 0.019020
H 5.842141 -1.788167 0.052428
H 4.861402 2.443480 -0.049607
H 6.589821 0.617715 0.001564
H -5.856940 -0.782223 -0.912747
H -5.800934 -0.870204 0.875982
H -1.109112 -1.548258 0.018562
H -1.991814 1.233598 -0.038770
H -7.771311 0.551590 0.105733
H -6.593184 1.545230 1.018250
H -6.645795 1.635455 -0.769000


