%chk=000042571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042571

0 1
 O    1.137300       2.307700     -1.2000001E-03
 O   0.1622000      -2.230500      3.9900001E-02
 O   -3.908800       2.008100      0.5504000    
 N   0.6522000      3.8100000E-02  1.9099999E-02
 N   -4.360800     -2.5800001E-02 -0.4708000    
 N   -5.727700      0.2073000     -0.5016000    
 C    3.380600       3.144400     -1.9800000E-02
 C    1.867100      -3.913300      4.0000002E-03
 C    4.862800       2.783000     -5.5000000E-02
 C    3.367700      -4.191100     -2.0000001E-03
 C    2.499300       1.903400     -1.9400001E-02
 C    1.571900      -2.420200      1.9700000E-02
 C   0.1964000       1.310900      1.9099999E-02
 C  -0.2858000     -0.9354000      3.8699999E-02
 C    5.738300       4.025200     -9.8999999E-02
 C    3.658100      -5.683200      2.5800001E-02
 C   -2.080600      0.6250000      5.6899998E-02
 C   -1.145800       1.654200      3.7300002E-02
 C   -1.650600     -0.6973000      5.7799999E-02
 C   -3.501800      0.9314000      7.7100001E-02
 C   -6.432100     -0.8418000      0.2229000    
 H    3.158000       3.750600      0.8673000    
 H    3.122300       3.770900     -0.8829000    
 H    1.392200      -4.370000     -0.8734000    
 H    1.397600      -4.383700      0.8771000    
 H    5.122500       2.189400      0.8292000    
 H    5.075300       2.164600     -0.9349000    
 H    3.824300      -3.751000     -0.8960000    
 H    3.837900      -3.719000      0.8684000    
 H    2.700800       1.311900     -0.9213000    
 H    2.724200       1.299500      0.8688000    
 H    2.021200      -1.968200      0.9129000    
 H    2.000300      -1.956300     -0.8776000    
 H    5.526600       4.623100     -0.9912000    
 H    6.795500       3.743100     -0.1222000    
 H    5.573200       4.652700      0.7826000    
 H    3.243600      -6.147000      0.9266000    
 H    4.738400      -5.859200      1.9600000E-02
 H    3.227300      -6.182800     -0.8477000    
 H   -1.445200       2.697500      3.2000002E-02
 H   -2.333900      -1.538600      9.8800004E-02
 H   -4.028200     -0.8728000     -0.9206000    
 H   -6.008500      0.1876000      -1.481400    
 H   -6.137400     -0.8587000       1.277600    
 H   -6.244700      -1.828600     -0.2140000    
 H   -7.509400     -0.6537000      0.1828000    


%chk=000042571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042571

0 1
O 1.168181 2.331122 -0.026168
O 0.189599 -2.302452 0.015289
O -3.926086 2.047837 0.653914
N 0.696657 0.010915 -0.021155
N -4.383241 0.059181 -0.516338
N -5.778877 0.192367 -0.478612
C 3.395884 3.277776 -0.053216
C 1.852246 -4.065804 0.034526
C 4.922701 3.030086 -0.074725
C 3.351234 -4.447318 0.022303
C 2.610397 1.966009 -0.046969
C 1.657263 -2.549463 0.005056
C 0.248066 1.295268 -0.005660
C -0.230332 -0.979120 0.008447
C 5.732353 4.344412 -0.076560
C 3.571748 -5.974951 0.051510
C -2.068782 0.598984 0.045052
C -1.120918 1.646117 0.032165
C -1.626574 -0.747925 0.039996
C -3.535475 0.980050 0.110474
C -6.504139 -0.890532 0.200146
H 3.122986 3.869313 0.841677
H 3.099107 3.875901 -0.936174
H 1.342389 -4.516684 -0.838665
H 1.366340 -4.478644 0.939508
H 5.210660 2.420299 0.805858
H 5.187766 2.431636 -0.970177
H 3.833297 -4.021766 -0.881367
H 3.857126 -3.984585 0.894045
H 2.812327 1.355147 -0.947221
H 2.836474 1.349901 0.843894
H 2.108880 -2.054257 0.885290
H 2.089964 -2.091685 -0.904575
H 5.486389 4.960038 -0.961952
H 6.819884 4.147920 -0.092262
H 5.509909 4.947696 0.823362
H 3.127732 -6.422581 0.960276
H 4.647912 -6.226656 0.041995
H 3.102978 -6.460366 -0.824894
H -1.438095 2.689436 0.068284
H -2.303351 -1.602273 0.114976
H -3.959586 -0.738216 -1.011354
H -6.175517 0.521659 -1.364449
H -6.200848 -0.933138 1.260064
H -6.349724 -1.900888 -0.249877
H -7.583102 -0.658367 0.164665


