%chk=000132459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132459

0 1
 O   -5.013500       1.104600       1.461100    
 O   -3.319100       1.940600      0.3350000    
 N  -7.8400001E-02 -0.1864000      -1.453200    
 N   -2.860100     -0.6986000     -0.6672000    
 N    3.403500      0.3105000      0.8268000    
 N   -3.734400      -1.387500       1.237300    
 N   -3.972400      0.9461000      0.7619000    
 C    1.102400     -1.7700000E-02 -0.6801000    
 C   -1.084700      0.8174000      -1.543100    
 C   -2.461200      0.1927000      -1.752800    
 C    1.519100       1.268500     -0.3223000    
 C    1.837300      -1.139600     -0.2837000    
 C    2.691800       1.387800      0.4424000    
 C    2.997700     -0.9261000      0.4795000    
 C   0.7998000       2.413500     -0.7067000    
 C    1.441800      -2.443700     -0.6290000    
 C    3.111900       2.665700      0.8018000    
 C    3.733800      -2.039000      0.8772000    
 C   -3.536400     -0.3484000      0.4567000    
 C   -2.603500      -2.030600     -0.6186000    
 C    1.241000       3.679700     -0.3343000    
 C    2.195300      -3.539600     -0.2189000    
 C    2.399400       3.805700      0.4215000    
 C    3.343700      -3.336400      0.5357000    
 C   -3.154900      -2.439200      0.5730000    
 H  -0.9421000       1.424500      -2.443900    
 H   -1.211600       1.365300     -0.6086000    
 H   -3.241000      0.9473000      -1.897000    
 H   -2.460900     -0.4191000      -2.665100    
 H  -0.1750000      -1.021500      -2.015700    
 H   4.4100001E-02   2.550200      -1.449400    
 H   0.5496000      -2.656000      -1.208700    
 H    4.017900       2.790900       1.391900    
 H    4.637300      -1.906000       1.469400    
 H   -2.078300      -2.564400      -1.398200    
 H   0.7135000       4.568600     -0.6686000    
 H    1.886900      -4.546000     -0.4848000    
 H    2.758500       4.789800      0.7081000    
 H    3.938600      -4.184600      0.8614000    
 H   -3.165000      -3.437500      0.9854000    


%chk=000132459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132459

0 1
O -4.343540 1.971119 1.392107
O -3.678480 1.870347 -0.796456
N 0.100550 0.002950 -2.245128
N -2.351317 -0.583756 -0.290529
N 2.664534 -0.032186 1.217707
N -2.719353 -0.260299 1.948210
N -3.699379 1.416391 0.431719
C 0.973074 0.022061 -1.141027
C -1.266342 0.553198 -2.278855
C -2.358316 -0.427832 -1.764894
C 1.239706 1.225060 -0.404259
C 1.655734 -1.185691 -0.751434
C 2.051522 1.123204 0.805528
C 2.506192 -1.144472 0.433137
C 0.801531 2.531488 -0.821030
C 1.515258 -2.440266 -1.442859
C 2.259881 2.303023 1.604126
C 3.198664 -2.341617 0.834987
C -2.940654 0.216641 0.705518
C -1.719869 -1.617893 0.393409
C 1.054780 3.657742 -0.042011
C 2.201136 -3.580659 -1.025481
C 1.761910 3.537849 1.202174
C 3.058550 -3.529503 0.124383
C -1.954795 -1.402070 1.762971
H -1.519114 0.814161 -3.323936
H -1.336330 1.476459 -1.689490
H -3.343739 -0.043562 -2.070211
H -2.215321 -1.432324 -2.202746
H 0.243983 -0.774992 -2.892519
H 0.316594 2.651914 -1.794356
H 0.866779 -2.524504 -2.325015
H 2.843677 2.181266 2.521460
H 3.834347 -2.266852 1.722590
H -1.160111 -2.392477 -0.125157
H 0.727491 4.644671 -0.386120
H 2.084216 -4.521767 -1.573987
H 1.932757 4.428729 1.816149
H 3.594464 -4.430760 0.441185
H -1.608274 -1.993292 2.606339


