%chk=000005595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005595

0 1
 O  -0.5159000      0.7078000      0.3483000    
 O   0.3472000      -1.425800      0.3980000    
 N   -4.317100      0.2956000     -0.9645000    
 N    3.269200       2.022600     -0.1524000    
 C   -3.699200      -1.022700     -0.7267000    
 C   -4.280800      0.9174000      0.3728000    
 C   -4.304600      -1.496100      0.5994000    
 C   -4.691000     -0.2076000       1.329700    
 C   -2.182300     -0.7748000     -0.6100000    
 C   -2.823700       1.364800      0.6026000    
 C   -1.831100      0.1962000      0.5271000    
 C   -5.670300      0.1968000      -1.505800    
 C   0.4829000     -0.2160000      0.3013000    
 C    1.800100      0.4432000      0.1137000    
 C    3.038000     -0.1894000      2.3000000E-02
 C    1.931300       1.781500      8.6000003E-03
 C    3.969300      0.8372000     -0.1473000    
 C    3.496500      -1.521200      6.3900001E-02
 C    5.341800      0.5976000     -0.2793000    
 C    4.866600      -1.775900     -6.6699997E-02
 C    5.773200     -0.7312000     -0.2356000    
 H   -3.884100      -1.731900      -1.541400    
 H   -4.938800       1.789700      0.4549000    
 H   -3.612000      -2.106500       1.188000    
 H   -5.203600      -2.098000      0.4209000    
 H   -5.774200     -0.1951000       1.499000    
 H   -4.204500     -0.1310000       2.307600    
 H   -1.709600      -1.750900     -0.4648000    
 H   -1.796500     -0.3895000      -1.563800    
 H   -2.551000       2.129000     -0.1382000    
 H   -2.727500       1.855900       1.579100    
 H   -1.858000     -0.3368000       1.486800    
 H   -5.645600     -0.2808000      -2.491600    
 H   -6.089100       1.198300      -1.653100    
 H   -6.361900     -0.3691000     -0.8734000    
 H    1.230200       2.604500      2.8400000E-02
 H    3.684000       2.938000     -0.2593000    
 H    2.809000      -2.351500      0.1944000    
 H    6.048400       1.410200     -0.4108000    
 H    5.226100      -2.801000     -3.5999998E-02
 H    6.833000     -0.9517000     -0.3351000    


%chk=000005595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005595

0 1
O -0.516614 0.656916 0.067016
O 0.414147 -1.417382 0.646080
N -4.553283 0.430129 -0.880807
N 3.394449 2.003799 -0.540544
C -3.885585 -0.913712 -0.907748
C -4.288860 0.857879 0.532700
C -4.317696 -1.612988 0.435266
C -4.591258 -0.415602 1.408520
C -2.355790 -0.670919 -0.971491
C -2.800567 1.285245 0.619077
C -1.885733 0.093759 0.285292
C -5.992085 0.391193 -1.232817
C 0.564010 -0.221054 0.275223
C 1.845323 0.432866 0.011232
C 3.163683 -0.178536 0.109711
C 2.034838 1.763471 -0.388320
C 4.120202 0.833401 -0.243715
C 3.622150 -1.474822 0.457153
C 5.510468 0.593661 -0.260572
C 5.009277 -1.722087 0.441617
C 5.942257 -0.702896 0.088146
H -4.208554 -1.477173 -1.800451
H -4.934656 1.714012 0.795040
H -3.531757 -2.291902 0.810574
H -5.229336 -2.217668 0.283682
H -5.642039 -0.412337 1.748772
H -3.955497 -0.452745 2.311214
H -1.809373 -1.627726 -1.052613
H -2.138778 -0.060511 -1.866684
H -2.627205 2.092738 -0.114490
H -2.562602 1.674022 1.626923
H -1.814263 -0.606182 1.138539
H -6.098586 0.049017 -2.277721
H -6.406968 1.413162 -1.169957
H -6.617013 -0.273525 -0.588524
H 1.284750 2.529997 -0.566916
H 3.804513 2.891269 -0.825207
H 2.900939 -2.251043 0.727482
H 6.229688 1.374380 -0.531865
H 5.383921 -2.717190 0.705833
H 7.013885 -0.931116 0.087050


