%chk=000042709.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042709

0 1
 O  -0.2761000      0.7978000      -1.246000    
 O   -3.041100      -2.191600       1.270900    
 O    2.231000      -1.299800      -2.103300    
 N   -2.449500       1.644000      7.9499997E-02
 C   -2.830600      0.2531000     -0.1632000    
 C   -1.666200     -0.6857000      8.7000001E-03
 C   -3.586700       2.533600     -0.1533000    
 C   -1.944800       1.805400       1.442500    
 C  -0.4337000     -0.3634000     -0.5469000    
 C   -1.836700      -1.866100      0.7222000    
 C   0.6440000      -1.234300     -0.3864000    
 C   -4.085800       2.423900      -1.584000    
 C   -1.543700       3.245700       1.712500    
 C  -0.7590000      -2.737100      0.8825000    
 C   0.4813000      -2.421200      0.3282000    
 C    1.948300     -0.9260000     -0.9564000    
 C    2.987500     -0.1610000     -0.2056000    
 C  -0.5274000      0.7469000      -2.647900    
 C   -3.939000      -2.946800      0.4603000    
 C    2.698100      0.2649000       1.070400    
 C    4.193900      8.7800004E-02 -0.8187000    
 C    3.669000      0.9794000       1.772200    
 C    5.164800      0.8022000     -0.1167000    
 C    4.902200       1.248000       1.178600    
 H   -3.666400     -1.3800000E-02  0.4951000    
 H   -3.177000      9.3900003E-02  -1.190000    
 H   -3.293200       3.581300     -3.3300001E-02
 H   -4.411400       2.339600      0.5440000    
 H   -2.688100       1.493500       2.188000    
 H   -1.047600       1.202100       1.615800    
 H   -3.265100       2.482200      -2.307000    
 H   -4.652900       1.505100      -1.761500    
 H   -4.767400       3.254800      -1.798700    
 H  -0.9551000       3.292900       2.635900    
 H   -2.406200       3.901900       1.863900    
 H  -0.9186000       3.651600      0.9096000    
 H  -0.8781000      -3.662900       1.438600    
 H    1.313400      -3.108200      0.4599000    
 H  -0.6193000       1.773100      -3.014600    
 H   0.3080000      0.2688000      -3.166600    
 H   -1.455900      0.2132000      -2.873600    
 H   -4.874100      -3.073900       1.012500    
 H   -3.520200      -3.935800      0.2495000    
 H   -4.154800      -2.424600     -0.4770000    
 H    1.751300      7.6800004E-02   1.564600    
 H    4.421000     -0.2486000      -1.825300    
 H    3.464900       1.327300       2.780700    
 H    6.125200       1.011600     -0.5785000    
 H    5.658100       1.804500       1.725000    


%chk=000042709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042709

0 1
O -0.154048 1.322683 -1.344234
O -3.012103 -2.083934 0.691204
O 2.242260 0.030299 -2.249105
N -3.036701 1.767429 -0.202372
C -2.986854 0.336935 -0.640029
C -1.673943 -0.388724 -0.358063
C -4.393962 2.335899 -0.436198
C -2.599081 1.974522 1.207831
C -0.387433 0.083470 -0.747786
C -1.724326 -1.633215 0.349368
C 0.804958 -0.641984 -0.426502
C -4.775088 2.488492 -1.921628
C -2.129043 3.417581 1.472924
C -0.554559 -2.348941 0.698772
C 0.699862 -1.836985 0.318912
C 2.132433 -0.246682 -1.015419
C 3.352060 -0.246663 -0.130006
C -0.892365 1.712803 -2.556360
C -3.127948 -3.327888 1.456515
C 3.264363 -0.140987 1.283924
C 4.633123 -0.301402 -0.743016
C 4.437397 -0.095493 2.069264
C 5.802482 -0.266750 0.041422
C 5.707706 -0.164266 1.451479
H -3.804729 -0.251261 -0.167881
H -3.177755 0.319139 -1.730218
H -4.416849 3.336579 0.031214
H -5.176347 1.720368 0.082817
H -3.409431 1.694697 1.929220
H -1.753576 1.292392 1.401716
H -4.026142 3.101277 -2.454327
H -4.861379 1.516181 -2.438010
H -5.754871 2.993889 -2.006080
H -1.764367 3.516709 2.512691
H -2.938263 4.157417 1.333724
H -1.305618 3.671672 0.783488
H -0.610390 -3.294364 1.243562
H 1.607918 -2.399175 0.561808
H -0.262917 2.483001 -3.028184
H -0.995057 0.853022 -3.243479
H -1.872050 2.132343 -2.270948
H -4.207938 -3.464079 1.614630
H -2.613716 -3.250376 2.433815
H -2.722857 -4.187631 0.889018
H 2.281384 -0.069524 1.761296
H 4.679830 -0.362377 -1.835568
H 4.362588 -0.001552 3.158396
H 6.786236 -0.315930 -0.438478
H 6.617408 -0.132515 2.061980


