%chk=000025886.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025886

0 1
 O   -2.217100       1.744500      0.6978000    
 O   -3.654200     -8.5500002E-02 -0.8229000    
 N    2.592200      0.2177000      0.1761000    
 N    3.674800       1.961700     -0.8975000    
 N    4.520500     -0.1312000      -1.213300    
 C    1.343900      -1.526600       1.364900    
 C   2.3700001E-02  -1.142200      0.7877000    
 C    2.529200      -1.222100      0.4413000    
 C  -0.4906000      0.1348000       1.012000    
 C  -0.6975000      -2.060300      2.4300000E-02
 C   -1.725900      0.4938000      0.4728000    
 C   -2.446900     -0.4242000     -0.2906000    
 C   -1.932800      -1.701400     -0.5148000    
 C    3.547000      0.6254000     -0.5996000    
 C   -1.417900       2.622100       1.488400    
 C   -3.648500      0.4934000      -2.126400    
 H    1.487300      -1.013500       2.325200    
 H    1.343600      -2.597700       1.604500    
 H    3.448700      -1.558900      0.9348000    
 H    2.409800      -1.778100     -0.4971000    
 H   0.1113000      0.8057000       1.615600    
 H  -0.3069000      -3.057800     -0.1593000    
 H   -2.489200      -2.421600      -1.108500    
 H  -0.4600000       2.842200       1.004700    
 H   -1.293900       2.245700       2.509600    
 H   -1.959900       3.570600       1.563900    
 H   -3.230800     -0.2082000      -2.855500    
 H   -3.075900       1.426200      -2.131700    
 H   -4.681600      0.7157000      -2.407100    
 H    3.029100       2.646300     -0.5192000    
 H    4.413900       2.302000      -1.502600    
 H    5.223000      0.3008000      -1.803900    
 H    4.575200      -1.137200      -1.100400    


%chk=000025886-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025886

0 1
O -1.932414 1.721454 0.055484
O -3.805249 -0.297628 -0.679874
N 2.850667 0.130946 0.658824
N 3.660273 2.226697 -0.030672
N 4.269523 0.350691 -1.306845
C 1.432812 -1.836126 1.245194
C 0.065107 -1.414788 0.725616
C 2.631325 -1.309690 0.410300
C -0.270832 -0.039150 0.624830
C -0.898112 -2.376530 0.339156
C -1.533655 0.371567 0.145490
C -2.494403 -0.605949 -0.261799
C -2.159949 -1.970702 -0.152286
C 3.564451 0.832047 -0.191473
C -0.982295 2.729167 0.531387
C -3.951903 0.655610 -1.797224
H 1.581952 -1.474052 2.281039
H 1.482457 -2.941737 1.274257
H 3.532735 -1.888287 0.716561
H 2.441528 -1.541031 -0.666111
H 0.487646 0.688198 0.928179
H -0.664900 -3.444953 0.417308
H -2.916668 -2.701582 -0.455458
H -0.046197 2.714355 -0.060860
H -0.742510 2.576701 1.601455
H -1.495578 3.693367 0.397458
H -3.442082 0.271235 -2.703044
H -3.546706 1.645366 -1.529529
H -5.036350 0.716526 -1.978500
H 3.153991 2.590633 0.775729
H 4.533430 2.692188 -0.277453
H 4.472630 0.968602 -2.089836
H 4.302877 -0.651043 -1.474107


