%chk=000063122.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063122

0 1
 O  -0.1778000       1.820500      0.8480000    
 O    1.574400       2.034700      -1.959300    
 N   0.2779000     -0.3686000      0.1071000    
 N   -1.543100      -1.793900     -0.4527000    
 C    1.689800     -0.2036000      0.3189000    
 C  -0.2691000      -1.570500     -0.3487000    
 C   -2.002000      0.4927000      0.2782000    
 C  -0.5502000      0.7293000      0.4229000    
 C    2.503100      0.2899000     -0.6948000    
 C   -2.437100     -0.7680000     -0.1302000    
 C    2.226200     -0.5456000       1.555200    
 C    3.871000      0.4434000     -0.4694000    
 C    1.945800      0.6643000      -2.029800    
 C   -2.922500       1.506300      0.5702000    
 C   0.6369000      -2.691600     -0.8156000    
 C   -3.811600      -1.006200     -0.2449000    
 C    3.594200     -0.3920000       1.780400    
 C    4.416600      0.1024000      0.7681000    
 C   -4.288800       1.256200      0.4513000    
 C   -4.733800      3.9999999E-04  4.5100000E-02
 H    1.594100     -0.9317000       2.350300    
 H    4.523700      0.8295000      -1.248100    
 H    2.697400      0.5426000      -2.817900    
 H    1.075800      6.7500003E-02  -2.316800    
 H   -2.596500       2.491300      0.8924000    
 H    1.298000      -2.999900     -1.2000001E-03
 H    1.245700      -2.352600      -1.657600    
 H   4.8900001E-02  -3.557300      -1.134300    
 H   -4.173200      -1.980400     -0.5658000    
 H    4.019100     -0.6575000       2.744100    
 H    5.481700      0.2224000      0.9439000    
 H   -5.006100       2.039800      0.6770000    
 H   -5.798100     -0.1953000     -4.7800001E-02
 H    1.222500       2.279800      -2.831900    


%chk=000063122-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063122

0 1
O -0.050601 1.677228 1.310182
O 1.038827 1.751656 -1.945205
N 0.286103 -0.392600 0.235218
N -1.546003 -1.738012 -0.568092
C 1.726540 -0.218751 0.363490
C -0.252820 -1.571398 -0.328538
C -1.978587 0.516876 0.384778
C -0.547291 0.696160 0.695373
C 2.486374 0.217731 -0.755116
C -2.427120 -0.687286 -0.244952
C 2.337817 -0.466464 1.608664
C 3.882609 0.376717 -0.589918
C 1.835245 0.515776 -2.089368
C -2.905837 1.539759 0.712883
C 0.694211 -2.709456 -0.633276
C -3.810332 -0.842991 -0.539210
C 3.732653 -0.301704 1.754683
C 4.507832 0.116915 0.650217
C -4.268290 1.375315 0.412354
C -4.718295 0.179039 -0.215674
H 1.716855 -0.770694 2.457250
H 4.481255 0.722888 -1.440721
H 2.622525 0.647857 -2.860265
H 1.179488 -0.324318 -2.402816
H -2.525738 2.445339 1.197054
H 1.244395 -3.026407 0.270919
H 1.452429 -2.435755 -1.388572
H 0.096919 -3.551117 -1.011669
H -4.133395 -1.773650 -1.015440
H 4.206793 -0.490497 2.723579
H 5.589474 0.252203 0.757063
H -4.985689 2.164345 0.661503
H -5.782356 0.053746 -0.445325
H 0.446910 1.849852 -2.734754


