%chk=000165798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165798

0 1
 O    3.019500      -1.613100     -0.8441000    
 O    4.110300      0.3415000      0.8027000    
 O   -1.351900     -0.6998000       1.505300    
 O   -5.648900     -0.2109000     -0.1272000    
 N   -3.547700      0.4913000     -0.9113000    
 N   -3.646200     -0.6600000       1.005300    
 C   0.2126000      0.7136000     -0.5790000    
 C   -2.263000      0.3690000     -0.4636000    
 C   -1.152900      0.8483000      -1.061500    
 C   0.9751000     -0.3958000     -0.9443000    
 C    2.284800     -0.5248000     -0.4821000    
 C   0.7597000       1.694000      0.2487000    
 C    2.832000      0.4555000      0.3458000    
 C    2.069300       1.564800      0.7113000    
 C   -2.304500     -0.3944000      0.8121000    
 C   -4.432900     -0.1371000     -2.1600001E-02
 C    2.945500      -2.757000      4.8000002E-03
 C    5.139400      0.9148000     -1.3000000E-03
 H   -1.252000       1.395100      -1.997000    
 H   0.5562000      -1.164700      -1.590200    
 H   0.1780000       2.564500      0.5424000    
 H    2.488900       2.332000       1.356400    
 H   -3.811600      0.9692000      -1.764800    
 H   -4.016800      -1.172800       1.797400    
 H    3.301500      -2.513800       1.010900    
 H    3.587200      -3.536800     -0.4143000    
 H    1.919100      -3.134800      5.0200000E-02
 H    4.992500       1.995100     -9.8999999E-02
 H    5.161200      0.4472000     -0.9908000    
 H    6.098900      0.7354000      0.4913000    


%chk=000165798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165798

0 1
O 2.792952 -1.673022 -0.187939
O 4.387995 0.748515 0.256321
O -1.628893 -2.058766 -0.470182
O -5.923630 -0.099672 -0.533379
N -3.728967 0.807917 -0.262891
N -3.898724 -1.389426 -0.553187
C 0.133018 0.949791 0.022491
C -2.389315 0.326008 -0.230306
C -1.309187 1.165168 -0.043840
C 0.792394 -0.308875 -0.123910
C 2.191321 -0.397994 -0.041586
C 0.941400 2.106077 0.267638
C 2.987383 0.772760 0.156618
C 2.340566 2.018472 0.332190
C -2.511869 -1.159131 -0.424886
C -4.676697 -0.205487 -0.458469
C 3.371624 -2.208064 1.066305
C 5.123820 0.132890 -0.876463
H -1.589811 2.223746 0.082766
H 0.215181 -1.224397 -0.287818
H 0.458717 3.082644 0.395717
H 2.961993 2.902890 0.502313
H -4.006734 1.782234 -0.160166
H -4.310959 -2.310371 -0.698161
H 4.154476 -1.534408 1.463099
H 3.805019 -3.183311 0.797855
H 2.576442 -2.345593 1.822841
H 5.004681 0.760642 -1.779191
H 4.761024 -0.888831 -1.079156
H 6.178079 0.123095 -0.562120


