%chk=000030519.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030519

0 1
 O   0.4933000      9.4999999E-02  0.1886000    
 O  -0.8583000       1.885500     -0.2552000    
 N    5.357000      0.1307000      0.4573000    
 N   -1.730700     -0.2478000      0.1547000    
 C    2.879300      7.6800004E-02  0.3060000    
 C    2.959800      -1.065500     -0.7128000    
 C    4.149000      0.9430000      0.2486000    
 C    4.257200      -1.847400     -0.5371000    
 C    5.472700     -0.9208000     -0.5622000    
 C    1.632400      0.9260000      6.6699997E-02
 C    6.550000      0.9775000      0.4559000    
 C  -0.7323000      0.6948000      3.1999999E-03
 C   -3.127700     -6.0800001E-02  4.8200000E-02
 C   -3.992400      -1.129200      0.2324000    
 C   -3.606500       1.208100     -0.2428000    
 C   -5.367700     -0.9242000      0.1231000    
 C   -3.490600      -2.501500      0.5464000    
 C   -4.981900       1.413000     -0.3519000    
 C   -5.862500      0.3469000     -0.1691000    
 H    2.800700     -0.3746000       1.305400    
 H    2.915100     -0.6636000      -1.733000    
 H    2.110900      -1.749600     -0.6006000    
 H    4.200100       1.472600     -0.7126000    
 H    4.083900       1.705400       1.035300    
 H    4.229600      -2.393400      0.4145000    
 H    4.347000      -2.596300      -1.332200    
 H    6.367100      -1.526300     -0.3712000    
 H    5.582400     -0.4842000      -1.563700    
 H    1.658400       1.374100     -0.9341000    
 H    1.579400       1.728100      0.8126000    
 H    7.445700      0.3806000      0.6607000    
 H    6.487900       1.731000       1.249000    
 H    6.690500       1.493900     -0.5005000    
 H   -1.410800      -1.188000      0.3687000    
 H   -2.995000       2.084200     -0.3986000    
 H   -6.068300      -1.743300      0.2625000    
 H   -2.848400      -2.870500     -0.2601000    
 H   -2.932600      -2.501200       1.488600    
 H   -4.311700      -3.218200      0.6582000    
 H   -5.368800       2.402200     -0.5794000    
 H   -6.933400      0.5066000     -0.2541000    


%chk=000030519-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030519

0 1
O 0.461867 0.115625 0.269811
O -0.867027 1.945436 -0.394116
N 5.382000 0.050254 0.444282
N -1.773599 -0.171311 0.201912
C 2.891579 0.050846 0.259847
C 2.981522 -0.991028 -0.880686
C 4.181593 0.904792 0.297556
C 4.269674 -1.832591 -0.745336
C 5.509620 -0.920011 -0.670127
C 1.672285 0.966388 0.116310
C 6.608409 0.849692 0.631598
C -0.764019 0.752507 -0.014896
C -3.176728 0.005698 0.038252
C -4.017943 -1.114491 0.329572
C -3.735990 1.235607 -0.395478
C -5.414255 -0.959778 0.172514
C -3.432952 -2.437792 0.796116
C -5.134011 1.354328 -0.541150
C -5.981774 0.260621 -0.259268
H 2.820278 -0.485228 1.226779
H 2.989818 -0.456984 -1.855213
H 2.085740 -1.637741 -0.872809
H 4.234960 1.530023 -0.636764
H 4.148399 1.602474 1.156769
H 4.221191 -2.443559 0.176501
H 4.371231 -2.525048 -1.602907
H 6.420923 -1.523496 -0.499842
H 5.637950 -0.391919 -1.654103
H 1.635029 1.461156 -0.872582
H 1.647495 1.749043 0.898574
H 7.466514 0.177057 0.809919
H 6.497484 1.503585 1.515375
H 6.854831 1.497692 -0.248522
H -1.446909 -1.086244 0.517322
H -3.074448 2.077161 -0.610906
H -6.065554 -1.813887 0.394113
H -2.743315 -2.878144 0.047618
H -2.874951 -2.336215 1.749011
H -4.233067 -3.175970 0.969316
H -5.556962 2.307789 -0.876489
H -7.067090 0.353263 -0.372474


