%chk=000097480.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097480

0 1
 O    1.911000      0.2268000       1.032100    
 O    1.574400     -0.4612000      -1.901300    
 O    4.409700      -1.410800      0.1045000    
 O    2.575500       2.918000      0.7606000    
 O   -5.579600      0.4767000     -0.2225000    
 N   5.3300001E-02  -1.115400      0.3886000    
 N   -1.993000      -2.013800      0.4274000    
 N  -0.5254000       1.199400     -7.2999999E-02
 N   -2.939900       1.491900     -0.2754000    
 N   -4.478800     -0.3247000     -3.3700000E-02
 C    2.245300      -1.167100     -0.8654000    
 C    1.507300      -1.030700      0.4630000    
 C    3.557300     -0.4762000     -0.5537000    
 C    3.160200      0.6254000      0.4313000    
 C    2.948100       1.978700     -0.2326000    
 C  -0.8221000     -9.0499997E-02  0.1462000    
 C  -0.7035000      -2.250200      0.5499000    
 C   -2.081500     -0.6679000      0.1750000    
 C   -3.165400      0.1757000     -4.6599999E-02
 C   -1.652900       1.915800     -0.2743000    
 H    2.345000      -2.215800      -1.163100    
 H    1.835800      -1.807100       1.165700    
 H    4.080800     -9.5600002E-02  -1.436100    
 H    3.883200      0.7258000       1.249000    
 H    2.144600       1.945400     -0.9738000    
 H    3.867700       2.324200     -0.7149000    
 H    2.120000     -0.5326000      -2.703000    
 H    5.229500     -0.9422000      0.3370000    
 H  -0.2578000      -3.214500      0.7523000    
 H    2.449500       3.772700      0.3143000    
 H   -1.509200       2.974700     -0.4606000    
 H   -4.648700      -1.306500      0.1450000    
 H   -5.974500      8.7600000E-02  -1.021100    


%chk=000097480-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097480

0 1
O 2.121815 0.140326 1.182366
O 1.553922 -0.799746 -1.868013
O 4.624523 -1.272253 0.105496
O 1.742859 2.796694 0.316680
O -5.393215 0.759583 -0.404030
N 0.192381 -1.105506 0.467586
N -1.881256 -2.086700 0.301070
N -0.510911 1.296392 0.161267
N -2.917381 1.519176 -0.176989
N -4.392974 -0.248167 -0.195899
C 2.416721 -1.261767 -0.788944
C 1.664422 -1.096129 0.574895
C 3.674334 -0.376235 -0.574881
C 3.166063 0.774362 0.313252
C 2.573617 1.951163 -0.507994
C -0.711228 -0.058706 0.242236
C -0.567289 -2.288325 0.493893
C -1.981951 -0.697119 0.145635
C -3.102636 0.152857 -0.072816
C -1.651955 2.007992 -0.052761
H 2.737697 -2.310353 -0.934049
H 1.933288 -1.939228 1.239019
H 4.096363 -0.013873 -1.533825
H 3.924094 1.153452 1.023599
H 2.008484 1.546773 -1.374011
H 3.409506 2.570311 -0.887366
H 1.875797 -1.158676 -2.731305
H 5.287601 -0.736974 0.608521
H -0.106689 -3.260185 0.660060
H 0.875834 2.267121 0.434399
H -1.539713 3.092685 -0.128951
H -4.758074 -1.195126 -0.138215
H -4.798150 1.592180 -0.409125


