%chk=000054711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054711

0 1
 O  -0.5171000      0.2636000     -0.3459000    
 O   -4.165500      -1.937700      -1.272000    
 O   -2.456200       1.313900       1.551600    
 O    1.643600      0.9217000      0.3833000    
 N   -2.992800     -0.5780000      0.2523000    
 N    3.908400      -1.492300     -0.6733000    
 N   0.4774000      -1.728600      0.3309000    
 N    3.643600     -0.1499000     -0.3394000    
 C   -1.910000      -1.468400      0.6199000    
 C   -1.918400      -1.792500       2.117300    
 C  -0.5910000     -0.8578000      0.1535000    
 C    1.752200      -1.428300     -2.0999999E-03
 C   -3.988800     -0.9119000     -0.6413000    
 C   -3.141100      0.6965000      0.7573000    
 C    2.751600      -2.224400     -0.4021000    
 C   -4.866000      0.2561000     -0.7097000    
 C   -4.353400       1.228800      0.1360000    
 C    2.294900     -4.5200001E-02  2.3100000E-02
 C   -3.209500      -2.435200       2.610800    
 C    4.659700      0.8084000     -9.9100001E-02
 C    2.704600      -3.700800     -0.6095000    
 C   -6.014600      0.4606000      -1.446200    
 C   -4.962400       2.457300      0.2895000    
 C    4.705000      -1.766700      -1.865300    
 C   -6.649200       1.698100      -1.306100    
 C   -6.128100       2.686900     -0.4468000    
 C    4.344700       2.169600     -4.0800001E-02
 C    5.984900      0.4000000      8.2400002E-02
 C    5.344500       3.113000      0.1961000    
 C    6.984700       1.343300      0.3194000    
 C    6.664400       2.699800      0.3763000    
 H   -2.039300      -2.404800      6.1000001E-02
 H   -1.722800     -0.8905000       2.709300    
 H   -1.095200      -2.479200       2.349700    
 H   0.2652000      -2.706000      0.5120000    
 H   -3.431200      -3.347100       2.047400    
 H   -4.059400      -1.753000       2.513500    
 H   -3.116300      -2.703300       3.668100    
 H    1.755300      -4.136200     -0.2839000    
 H    3.502200      -4.188600     -3.9500002E-02
 H    2.835000      -3.947600      -1.668000    
 H   -6.415100     -0.2989000      -2.107200    
 H   -4.561900       3.217600      0.9496000    
 H    5.488900      -1.028100      -2.048700    
 H    4.065400      -1.780300      -2.755600    
 H    5.190400      -2.744200      -1.775500    
 H   -7.557300       1.903500      -1.867000    
 H   -6.641900       3.640500     -0.3573000    
 H    3.335400       2.533600     -0.2037000    
 H    6.270400     -0.6480000      8.4100001E-02
 H    5.096700       4.169800      0.2344000    
 H    8.011300       1.021600      0.4683000    
 H    7.442800       3.434200      0.5614000    


%chk=000054711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054711

0 1
O -1.030050 -0.942614 -1.098430
O -3.847170 -3.067610 0.747024
O -3.047196 1.520405 0.051032
O 2.810544 0.092947 2.109080
N -3.161411 -0.794788 0.597113
N 3.591503 -0.109038 -1.360033
N 0.490655 -0.423700 0.602842
N 3.981199 0.125849 -0.000450
C -1.846705 -0.954026 1.227389
C -1.698751 -0.085452 2.508560
C -0.759683 -0.751305 0.124667
C 1.715841 -0.235790 -0.067326
C -4.042748 -1.890773 0.356066
C -3.635974 0.411847 0.007801
C 2.176451 -0.274797 -1.378211
C -5.191202 -1.320324 -0.416438
C -4.947655 0.058776 -0.624946
C 2.842454 0.025624 0.837060
C -2.846606 -0.318816 3.513262
C 5.345051 0.004001 0.407968
C 1.487487 -0.416422 -2.704107
C -6.351398 -1.941158 -0.902507
C -5.857042 0.864352 -1.325719
C 4.241362 0.766114 -2.367974
C -7.277813 -1.135107 -1.614040
C -7.034367 0.246529 -1.822248
C 5.771511 0.680706 1.578608
C 6.253337 -0.799027 -0.328774
C 7.111852 0.554115 1.999472
C 7.595260 -0.899789 0.095765
C 8.032125 -0.224268 1.258777
H -1.805302 -2.025484 1.518085
H -1.647647 0.980788 2.225283
H -0.746192 -0.347776 3.010520
H 0.612011 -0.289781 1.617249
H -2.931380 -1.386646 3.787553
H -3.816712 0.001459 3.094358
H -2.671910 0.259336 4.437843
H 0.439905 -0.705356 -2.533261
H 1.983602 -1.183140 -3.327245
H 1.493224 0.536641 -3.268164
H -6.527079 -3.008698 -0.737430
H -5.657025 1.928868 -1.482596
H 5.334469 0.707190 -2.257694
H 3.922151 1.821744 -2.261307
H 3.969937 0.399417 -3.369139
H -8.194625 -1.584462 -2.010545
H -7.766925 0.842993 -2.376602
H 5.053519 1.272607 2.150980
H 5.898152 -1.361490 -1.198484
H 7.438125 1.071788 2.908001
H 8.294488 -1.521452 -0.474282
H 9.073055 -0.310104 1.588095


