%chk=000077656.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077656

0 1
 O   -5.614100      -1.480500      0.4754000    
 O    5.614900      -1.479200     -0.4760000    
 O   -5.557700      0.4697000     -0.7562000    
 O    5.556600      0.4680000      0.7601000    
 N   -1.426900      0.8441000      0.2305000    
 N    1.427100      0.8445000     -0.2315000    
 C  -0.7300000       2.050000     -0.2335000    
 C  -0.7302000     -0.3612000     -0.2355000    
 C   0.7297000       2.049800      0.2336000    
 C   0.7298000     -0.3620000      0.2305000    
 C   -2.818500      0.8446000     -0.2161000    
 C    2.818200      0.8441000      0.2171000    
 C   -3.562100     -0.3547000      0.3643000    
 C    3.562700     -0.3539000     -0.3651000    
 C   -5.014900     -0.3730000     -5.5000000E-02
 C    5.014900     -0.3731000      5.6299999E-02
 C   -7.002000      -1.639100      0.1638000    
 C    7.002400      -1.638400     -0.1628000    
 H  -0.7671000       2.127300      -1.328700    
 H   -1.220800       2.942400      0.1736000    
 H   -1.166900      -1.270900      0.1858000    
 H  -0.7727000     -0.4445000      -1.329900    
 H   0.7666000       2.125700       1.329000    
 H    1.220500       2.942700     -0.1722000    
 H    1.166600      -1.270600     -0.1936000    
 H   0.7721000     -0.4487000       1.324700    
 H   -2.886900      0.8392000      -1.312200    
 H   -3.314500       1.761700      0.1275000    
 H    2.885000      0.8360000       1.313300    
 H    3.314600       1.762000     -0.1236000    
 H   -3.153600      -1.302100      6.0000003E-04
 H   -3.521500     -0.3345000       1.459400    
 H    3.523600     -0.3312000      -1.460200    
 H    3.153500      -1.302100     -4.1999999E-03
 H   -7.576600     -0.7932000      0.5532000    
 H   -7.138700      -1.734800     -0.9174000    
 H   -7.355800      -2.554800      0.6449000    
 H    7.577400     -0.7916000     -0.5493000    
 H    7.137600      -1.736600      0.9186000    
 H    7.357100      -2.553000     -0.6453000    


%chk=000077656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077656

0 1
O -5.932115 -1.360922 0.305234
O 5.932133 -1.360170 -0.307903
O -5.754208 0.896078 -0.237951
O 5.754145 0.895892 0.239137
N -1.452463 0.611400 0.112614
N 1.452386 0.611561 -0.111672
C -0.704908 1.825793 -0.304460
C -0.708146 -0.604710 -0.300309
C 0.704814 1.825481 0.306738
C 0.708119 -0.604998 0.300005
C -2.851838 0.635689 -0.373945
C 2.851812 0.635344 0.374762
C -3.728099 -0.413543 0.338325
C 3.728035 -0.412935 -0.338955
C -5.208388 -0.182300 0.090629
C 5.208350 -0.181974 -0.091157
C -7.403570 -1.246975 0.150325
C 7.403611 -1.246360 -0.153129
H -0.612423 1.888721 -1.418155
H -1.257154 2.717454 0.046047
H -1.245423 -1.501191 0.057838
H -0.627762 -0.670863 -1.415679
H 0.612341 1.887191 1.420501
H 1.257031 2.717541 -0.042800
H 1.245424 -1.501092 -0.059064
H 0.627744 -0.672302 1.415308
H -2.914771 0.486541 -1.482287
H -3.273428 1.635004 -0.164092
H 2.914896 0.484813 1.482905
H 3.273315 1.634947 0.166115
H -3.483098 -1.449022 0.046748
H -3.544474 -0.337707 1.428751
H 3.544268 -0.335714 -1.429259
H 3.483097 -1.448802 -0.048692
H -7.806277 -0.501564 0.856648
H -7.656474 -0.941687 -0.878924
H -7.787352 -2.252516 0.372013
H 7.806103 -0.499766 -0.858326
H 7.656722 -0.942732 0.876561
H 7.787424 -2.251505 -0.376545


