%chk=000128926.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128926

0 1
 O  -0.6147000      0.2403000      -2.286400    
 O    4.756700     -0.7685000      0.8277000    
 N   -1.407100       2.382000      0.3459000    
 N   -3.752100      -1.338500      0.2416000    
 C   -1.637700     -6.4700000E-02 -0.1208000    
 C   -2.318200       1.319800     -6.4300001E-02
 C   -2.568200      -1.195500     -0.5967000    
 C  -0.4523000      1.5500000E-02  -1.087600    
 C   0.9331000     -0.1929000     -0.5781000    
 C  -0.9226000       2.148100       1.707300    
 C   -2.064200       3.687100      0.2580000    
 C   -3.374800      -1.696700       1.610200    
 C   -4.659500      -2.344200     -0.3141000    
 C    1.121500      -1.024000      0.5035000    
 C    1.973200      0.4532000      -1.208000    
 C    2.417800      -1.219000      0.9803000    
 C    3.269400      0.2584000     -0.7312000    
 C    3.491700     -0.5778000      0.3629000    
 C    5.807900     -8.2400002E-02  0.1497000    
 H   -1.284700     -0.3134000      0.8782000    
 H   -3.188200       1.284300      0.6043000    
 H   -2.706200       1.549300      -1.066100    
 H   -2.004400      -2.137400     -0.6497000    
 H   -2.884800     -0.9723000      -1.624700    
 H  -0.3251000       3.002600       2.047900    
 H   -1.742100       2.010400       2.422300    
 H  -0.2502000       1.290100       1.772300    
 H   -2.395400       3.883700     -0.7678000    
 H   -2.933600       3.758200      0.9217000    
 H   -1.364400       4.489200      0.5182000    
 H   -2.886900     -0.8673000       2.130900    
 H   -2.721900      -2.576400       1.646800    
 H   -4.268800      -1.919700       2.205200    
 H   -5.572100      -2.414700      0.2882000    
 H   -4.197800      -3.337300     -0.3598000    
 H   -4.974700      -2.062600      -1.325000    
 H   0.3198000      -1.574800      0.9821000    
 H    1.812800       1.111300      -2.056600    
 H    2.586400      -1.879100       1.826800    
 H    4.056900      0.7879000      -1.256500    
 H    5.698600       1.004200      0.2330000    
 H    5.898000     -0.4120000     -0.8910000    
 H    6.744000     -0.3488000      0.6513000    


%chk=000128926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128926

0 1
O -0.450266 1.259187 -1.963295
O 4.882591 -1.381524 0.533522
N -2.065701 2.661563 0.741474
N -3.280123 -1.472605 0.400225
C -1.534055 0.325203 0.009090
C -2.536893 1.497750 -0.053687
C -2.189244 -1.003678 -0.484786
C -0.307014 0.616639 -0.877302
C 1.040086 0.089903 -0.487233
C -2.407436 2.558032 2.171815
C -2.460028 3.961217 0.165476
C -2.793505 -2.043641 1.670650
C -4.210561 -2.388072 -0.292909
C 1.261229 -0.749217 0.643308
C 2.156963 0.431760 -1.296034
C 2.545367 -1.224095 0.951633
C 3.452030 -0.027585 -0.998126
C 3.647942 -0.862338 0.134553
C 6.063091 -1.035572 -0.266599
H -1.202542 0.199045 1.055134
H -3.533208 1.129448 0.285235
H -2.621548 1.809536 -1.110301
H -1.400023 -1.789238 -0.613292
H -2.617246 -0.814393 -1.487629
H -1.921075 3.376544 2.733449
H -3.509893 2.607850 2.368102
H -2.039547 1.601548 2.585701
H -2.096301 4.026118 -0.874566
H -3.566964 4.135804 0.161696
H -1.992954 4.779991 0.743796
H -2.206540 -1.294957 2.231108
H -2.151714 -2.951521 1.525933
H -3.654058 -2.329925 2.301004
H -5.053493 -2.636662 0.377095
H -3.734334 -3.348785 -0.616122
H -4.621986 -1.891746 -1.189436
H 0.427430 -1.040495 1.289575
H 1.977336 1.072298 -2.166047
H 2.725629 -1.870600 1.815622
H 4.290628 0.262231 -1.638205
H 6.239108 0.057097 -0.267578
H 5.962235 -1.399073 -1.307118
H 6.901688 -1.547444 0.226967


