%chk=000128822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128822

0 1
 O    2.741500      -1.770800     -0.8707000    
 O    2.716500      -3.890800       2.027600    
 O    4.489000      -3.645800      -2.036900    
 N    1.929500      0.2848000     -1.9600000E-02
 N    1.517000       2.479300      8.4899999E-02
 N    4.359400      0.3249000     -8.2000000E-03
 N    5.213400       2.608300      0.1056000    
 N    3.772100       4.516400      0.1917000    
 N   -8.716800     -0.6003000     -0.1046000    
 C    1.699000      -1.153100     -9.0200000E-02
 C    1.678000      -1.849000       1.262600    
 C    2.177700      -3.228600      0.9026000    
 C    3.235500      -2.907600     -0.1419000    
 C    3.501000      -4.051500      -1.103800    
 C   0.9815000       1.277900      2.4800001E-02
 C    3.150100      0.9051000      1.5100000E-02
 C    2.871800       2.261100      7.9700001E-02
 C  -0.4382000       1.004000      5.5999998E-03
 C    3.961300       3.125200      0.1257000    
 C   -1.114700      0.9307000      -1.210000    
 C   -1.124600      0.8143000       1.203000    
 C    5.332800       1.260100      4.1000001E-02
 C   -2.484200      0.6663000      -1.228400    
 C   -2.494100      0.5500000       1.184700    
 C   -3.173900      0.4759000     -3.0999999E-02
 C   -4.594400      0.2011000     -4.9899999E-02
 C   -5.389800      0.7110000      -1.075800    
 C   -5.167800     -0.5744000      0.9576000    
 C   -6.759100      0.4454000      -1.094200    
 C   -6.536900     -0.8400000      0.9393000    
 C   -7.332700     -0.3301000     -8.6499996E-02
 H   0.7663000      -1.327000     -0.6368000    
 H   0.6836000      -1.860300       1.719400    
 H    2.352700      -1.369500       1.983500    
 H    1.359000      -3.826700      0.4849000    
 H    4.177900      -2.604600      0.3321000    
 H    2.601200      -4.302300      -1.674400    
 H    3.851500      -4.948600     -0.5848000    
 H    3.088700      -4.735000       1.720900    
 H    5.302000      -3.451800      -1.539800    
 H  -0.5886000       1.070000      -2.151500    
 H  -0.6087000      0.8751000       2.158400    
 H    6.349100      0.8811000      2.6600000E-02
 H   -2.964600      0.5875000      -2.199700    
 H   -2.994100      0.4391000       2.142900    
 H    2.838800       4.904800      0.2075000    
 H    4.579800       5.123400      0.2248000    
 H   -4.993300       1.344700      -1.864300    
 H   -4.583600      -1.018200       1.759100    
 H   -7.370200      0.8535000      -1.895300    
 H   -6.971300      -1.451400       1.726200    
 H   -9.132900      -1.160900      0.6271000    
 H   -9.295200     -0.2295000     -0.8468000    


%chk=000128822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128822

0 1
O 1.869640 -1.947645 -0.754451
O 4.442552 -3.822495 1.119729
O 3.093571 -3.318392 -3.221588
N 1.975080 0.101573 0.555000
N 1.477137 2.351403 0.565427
N 4.471425 0.276694 0.583564
N 5.234453 2.615815 0.651312
N 3.734602 4.445035 0.673146
N -8.988877 -0.361020 -0.542753
C 1.752944 -1.350117 0.604382
C 2.726690 -2.134033 1.521941
C 3.127329 -3.361415 0.679574
C 3.091765 -2.789460 -0.764506
C 2.973852 -3.843933 -1.860690
C 0.958049 1.102082 0.500618
C 3.202470 0.783874 0.589195
C 2.863696 2.162427 0.616235
C -0.479495 0.824314 0.356436
C 3.943940 3.092107 0.648815
C -0.983657 -0.213934 -0.477778
C -1.410328 1.679092 1.007831
C 5.420420 1.261114 0.619066
C -2.370771 -0.402406 -0.620510
C -2.793289 1.484338 0.857475
C -3.312607 0.432988 0.045858
C -4.775691 0.227108 -0.106488
C -5.330284 -0.331630 -1.293072
C -5.687708 0.581564 0.928051
C -6.713191 -0.525915 -1.445672
C -7.072991 0.389281 0.794360
C -7.615110 -0.169144 -0.400358
H 0.702451 -1.490481 0.901982
H 2.249884 -2.406968 2.475671
H 3.646264 -1.560437 1.718807
H 2.369312 -4.171652 0.763387
H 3.990029 -2.148649 -0.906833
H 1.976733 -4.314284 -1.823617
H 3.748370 -4.626495 -1.677790
H 4.649896 -4.689325 0.687809
H 3.866311 -2.699332 -3.263506
H -0.294611 -0.852199 -1.042852
H -1.027146 2.503515 1.617686
H 6.461470 0.924488 0.618732
H -2.726997 -1.224778 -1.250490
H -3.484232 2.176976 1.350400
H 2.784435 4.809077 0.650355
H 4.537872 5.069741 0.684207
H -4.669710 -0.587638 -2.129163
H -5.303247 0.985847 1.871457
H -7.105250 -0.944608 -2.380780
H -7.743831 0.660876 1.618801
H -9.631784 -0.097379 0.198059
H -9.373838 -0.762366 -1.392673


