%chk=000004781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004781

0 1
 O   0.4591000      -3.095100      0.1715000    
 O    2.081800      0.8807000       2.124700    
 N  -0.3558000     -0.8608000      0.2923000    
 N   0.1860000      0.3512000      0.7852000    
 C    1.650900      -1.366900       1.360100    
 C    3.007200      -1.588900      0.7154000    
 C   0.5410000      -1.920100      0.4974000    
 C    1.351400      0.1041000       1.527000    
 C    3.111300     -0.8724000     -0.6307000    
 C    4.489900      -1.070400      -1.260600    
 C   -1.742200      -1.071000      2.3200000E-02
 C  -0.1218000       1.641900      0.2572000    
 C    4.609100     -0.3314000      -2.583900    
 C   -2.159200      -2.224100     -0.6455000    
 C   0.3172000       2.792300      0.9169000    
 C   -2.686300     -0.1248000      0.4281000    
 C  -0.8627000       1.759400     -0.9212000    
 C   -3.513500      -2.429900     -0.9083000    
 C   1.7000001E-02   4.053000      0.4011000    
 C   -4.040600     -0.3308000      0.1654000    
 C   -1.162800       3.020300      -1.436800    
 C   -4.454200      -1.483300     -0.5028000    
 C  -0.7229000       4.167000     -0.7756000    
 H    1.594400      -1.844100       2.344600    
 H    3.183100      -2.662200      0.5731000    
 H    3.795300      -1.220400       1.383800    
 H    2.349900      -1.246000      -1.325400    
 H    2.940800      0.2036000     -0.5124000    
 H    4.673600      -2.138400      -1.425900    
 H    5.267400     -0.7088000     -0.5776000    
 H    4.464700      0.7450000      -2.446900    
 H    3.864400     -0.6897000      -3.301700    
 H    5.601800     -0.4882000      -3.017400    
 H   -1.469000      -2.967700      -1.026100    
 H   0.8507000       2.765400       1.859600    
 H   -2.431400      0.7469000       1.021300    
 H   -1.157200      0.9058000      -1.522100    
 H   -3.835400      -3.322000      -1.437700    
 H   0.3499000       4.946700      0.9210000    
 H   -4.775500      0.3972000      0.4966000    
 H   -1.723000       3.109700      -2.363100    
 H   -5.508900      -1.644300     -0.7058000    
 H  -0.9552000       5.148700      -1.178100    


%chk=000004781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004781

0 1
O 0.359975 -3.088708 0.209725
O 2.107131 1.063338 2.010256
N -0.362224 -0.829558 0.287743
N 0.153177 0.408164 0.836343
C 1.711282 -1.314727 1.341870
C 3.108170 -1.558499 0.705046
C 0.544758 -1.890844 0.539670
C 1.391157 0.172820 1.489147
C 3.272290 -0.942837 -0.701719
C 4.674330 -1.207311 -1.297013
C -1.773679 -0.991642 0.057647
C -0.237454 1.672556 0.268594
C 4.852817 -0.584762 -2.698265
C -2.203244 -1.974112 -0.869680
C -0.124591 2.838494 1.066045
C -2.719754 -0.205003 0.761643
C -0.696663 1.757068 -1.069619
C -3.585284 -2.169621 -1.078297
C -0.466713 4.090324 0.511227
C -4.096805 -0.403307 0.529014
C -1.050139 3.014218 -1.602857
C -4.537752 -1.385264 -0.387918
C -0.935684 4.185830 -0.819235
H 1.698066 -1.799946 2.337783
H 3.266749 -2.652704 0.658296
H 3.867307 -1.135272 1.389821
H 2.504878 -1.360623 -1.385484
H 3.102813 0.152074 -0.653870
H 4.848337 -2.301242 -1.350849
H 5.443456 -0.800572 -0.609429
H 4.709275 0.511602 -2.664929
H 4.116640 -0.998448 -3.413094
H 5.862892 -0.781855 -3.101558
H -1.466662 -2.583658 -1.397095
H 0.241864 2.762979 2.092041
H -2.385423 0.548116 1.480500
H -0.775555 0.855229 -1.683115
H -3.914979 -2.935407 -1.788696
H -0.371125 4.991589 1.126320
H -4.825309 0.209198 1.071259
H -1.410410 3.076305 -2.635460
H -5.608377 -1.536109 -0.562163
H -1.209239 5.159330 -1.239747


