%chk=000129674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129674

0 1
 O    3.717300      0.9845000      0.9563000    
 O    5.845500      0.2362000     -0.6750000    
 N  -0.1911000     -0.7672000      0.5095000    
 N   -2.014600      -1.900100     -3.6699999E-02
 N   -1.027900       1.505400      0.3614000    
 N   -3.380400       1.528000     -0.2878000    
 N   -4.618400     -0.4777000     -0.7016000    
 C    2.151900     -0.3615000     -0.2839000    
 C    1.191000     -0.5180000      0.9011000    
 C    3.617500     -0.1683000      0.1209000    
 C   -1.143800      0.1713000      0.2806000    
 C    4.503000      3.7500001E-02  -1.104900    
 C   -2.275400     -0.5530000     -5.8699999E-02
 C  -0.7476000      -1.992900      0.3096000    
 C   -3.424700      0.1753000     -0.3493000    
 C   -2.202200       2.100500      5.8699999E-02
 H    2.069400      -1.238000     -0.9389000    
 H    1.822000      0.5035000     -0.8747000    
 H    1.499900      -1.359500       1.532700    
 H    1.192700      0.3785000       1.531600    
 H    3.966900      -1.025500      0.7074000    
 H    4.207000      0.9342000      -1.658600    
 H    4.471000     -0.8233000      -1.779600    
 H  -0.1948000      -2.915300      0.4259000    
 H    4.655300       1.096100       1.187400    
 H   -2.203200       3.184600      9.7900003E-02
 H    6.121800     -0.5658000     -0.1996000    
 H   -4.654000      -1.487000     -0.7486000    
 H   -5.440100      7.3600002E-02 -0.9086000    


%chk=000129674-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129674

0 1
O 3.726879 0.615945 1.274377
O 5.814639 0.539534 -0.593161
N -0.179343 -0.930640 0.629436
N -2.192842 -1.993023 0.286450
N -0.848461 1.393811 0.032367
N -3.222972 1.529259 -0.608265
N -4.655034 -0.351152 -0.648150
C 2.079222 -0.299671 -0.255727
C 1.243017 -0.734622 0.968512
C 3.573786 -0.238301 0.089009
C -1.077553 0.058255 0.211882
C 4.424450 0.335552 -1.059228
C -2.312862 -0.618588 0.008655
C -0.903689 -2.132722 0.651270
C -3.413733 0.180622 -0.419471
C -1.976307 2.048357 -0.375976
H 1.924035 -1.013449 -1.088560
H 1.728893 0.695831 -0.583658
H 1.620441 -1.688265 1.381992
H 1.331841 0.035399 1.752378
H 3.945545 -1.265256 0.328668
H 4.072758 1.346935 -1.321463
H 4.387308 -0.314244 -1.956879
H -0.440730 -3.072230 0.947664
H 4.675676 0.917495 1.286768
H -1.875120 3.125327 -0.540935
H 6.285111 -0.332148 -0.567327
H -4.813269 -1.346536 -0.507859
H -5.407687 0.264623 -0.948268


