%chk=000025973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025973

0 1
 O    5.022100       1.615600     -7.3200002E-02
 O   -5.058400       1.625500      7.4600004E-02
 N    6.292600     -0.3224000      1.9800000E-02
 N   -6.295300     -0.3340000      6.6000000E-03
 C   2.0700000E-02  0.3862000     -5.9000002E-03
 C    1.288400     -0.4711000     -5.2000000E-03
 C   -1.270200     -0.4384000     -1.1400000E-02
 C    2.546200      0.4005000     -1.0500000E-02
 C   -2.538900      0.4212000     -3.5300002E-02
 C    3.814800     -0.4533000      2.9200001E-02
 C   -3.815600     -0.4249000     -4.6599999E-02
 C    5.086100      0.3849000     -1.2800000E-02
 C   -5.100400      0.3941000      1.4400000E-02
 C    7.554000      0.4072000     -2.0300001E-02
 C    6.418000      -1.776400      9.1100000E-02
 C   -6.396100      -1.788400     -8.6800002E-02
 C   -7.567900      0.3735000      7.2099999E-02
 H   2.3900000E-02   1.039400      0.8756000    
 H   2.8999999E-02   1.041700     -0.8856000    
 H    1.289400      -1.125800     -0.8849000    
 H    1.290200      -1.117900      0.8803000    
 H   -1.287300      -1.083600      0.8756000    
 H   -1.269000      -1.100900     -0.8857000    
 H    2.531900       1.077200      0.8530000    
 H    2.551400       1.031800     -0.9078000    
 H   -2.525700       1.073100     -0.9176000    
 H   -2.544000       1.081100      0.8413000    
 H    3.819100      -1.046600      0.9506000    
 H    3.818800      -1.130100     -0.8329000    
 H   -3.830600      -1.025600     -0.9632000    
 H   -3.801000      -1.098000      0.8186000    
 H    8.124100      0.1744000      0.8840000    
 H    7.400300       1.487800     -7.2800003E-02
 H    8.118000      8.6800002E-02 -0.9013000    
 H    6.971700      -2.120300     -0.7878000    
 H    5.458700      -2.292100      0.1206000    
 H    6.979200      -2.032300      0.9949000    
 H   -6.953600      -2.154500      0.7805000    
 H   -5.429000      -2.289300     -0.1131000    
 H   -6.943600      -2.039300      -1.000300    
 H   -8.140600      0.1514000     -0.8332000    
 H   -7.431600       1.455200      0.1475000    
 H   -8.120300      2.4700001E-02  0.9495000    


%chk=000025973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025973

0 1
O 5.076892 1.640190 0.005321
O -5.074847 1.630304 0.000731
N 6.362509 -0.296091 0.011522
N -6.356434 -0.308623 -0.013629
C 0.002363 0.352418 0.004110
C 1.294674 -0.494868 0.005722
C -1.288338 -0.497316 0.002869
C 2.576733 0.366301 0.006177
C -2.572059 0.361358 0.000907
C 3.857733 -0.491672 0.007781
C -3.851367 -0.499102 -0.001150
C 5.133636 0.369091 0.008007
C -5.128972 0.359103 -0.004549
C 7.605088 0.494326 0.011997
C 6.539841 -1.753572 0.013877
C -6.530554 -1.766457 -0.025864
C -7.600599 0.479247 -0.022767
H 0.000770 1.019430 0.890867
H 0.002695 1.018951 -0.883012
H 1.293718 -1.162106 -0.882738
H 1.292264 -1.160977 0.895023
H -1.286514 -1.163697 0.891976
H -1.284254 -1.164319 -0.885770
H 2.585590 1.034948 0.887132
H 2.586989 1.033763 -0.875650
H -2.581562 1.029337 -0.880565
H -2.584268 1.029487 0.882195
H 3.856374 -1.156841 0.895957
H 3.857777 -1.157996 -0.879568
H -3.847433 -1.165990 -0.887988
H -3.851473 -1.163761 0.887502
H 8.210440 0.270642 0.912148
H 7.332403 1.560459 0.010409
H 8.212546 0.268607 -0.886247
H 7.108999 -2.078649 -0.880246
H 5.573054 -2.275096 0.012382
H 7.105045 -2.076338 0.911331
H -7.128579 -2.093229 0.848354
H -5.563320 -2.286050 0.008396
H -7.064889 -2.089715 -0.942071
H -8.196923 0.258606 -0.929748
H -7.330151 1.545918 -0.014042
H -8.216096 0.248078 0.868514


