%chk=000032507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032507

0 1
 O   0.1154000      0.3826000      8.5800000E-02
 O    1.072100       1.170700      -1.852000    
 N   -3.421000     -0.5891000     -0.3008000    
 C    2.404200       1.056300      0.1965000    
 C    2.821900     -0.3209000      0.7915000    
 C    2.104100       2.019200       1.381100    
 C    3.086500      -1.429900     -0.2368000    
 C    3.543600       1.625000     -0.6707000    
 C    1.141100      0.8889000     -0.6615000    
 C    3.416600      -2.754100      0.4560000    
 C    1.662200       3.425300      0.9889000    
 C   -1.118000      0.1802000     -0.6109000    
 C   -2.141800     -0.3829000      0.3618000    
 C    3.713100      -3.852000     -0.5533000    
 C   -4.139800      0.6790000     -0.4462000    
 C   -4.239600      -1.551700      0.4403000    
 C   -5.445900      0.4868000      -1.198300    
 C   -4.574700      -1.033300       1.828600    
 H    2.040500     -0.6712000       1.479300    
 H    3.724800     -0.1872000       1.402600    
 H    2.997700       2.106300       2.012900    
 H    1.321900       1.589200       2.020000    
 H    2.209800      -1.570400     -0.8791000    
 H    3.924900      -1.151300     -0.8840000    
 H    4.458400       1.758000     -8.2900003E-02
 H    3.278600       2.594000      -1.107000    
 H    3.777900      0.9701000      -1.516400    
 H    2.576000      -3.063500       1.087800    
 H    4.285900      -2.625200       1.111300    
 H    2.456900       3.969000      0.4708000    
 H    1.409800       3.997500       1.888000    
 H   0.7757000       3.406600      0.3483000    
 H  -0.9526000     -0.5229000      -1.436500    
 H   -1.435300       1.144300      -1.020700    
 H   -2.210500      0.2783000       1.235600    
 H   -1.734700      -1.331600      0.7380000    
 H    4.571200      -3.588300      -1.179500    
 H    2.852000      -4.027500      -1.206000    
 H    3.944600      -4.789000     -3.6899999E-02
 H   -4.311700       1.206900      0.4984000    
 H   -3.543800       1.363900      -1.059900    
 H   -5.151000      -1.822400     -0.1030000    
 H   -3.689200      -2.497200      0.5338000    
 H   -5.304900     -0.1015000      -2.111700    
 H   -6.218100      1.1100000E-02 -0.5863000    
 H   -5.842200       1.463200      -1.499400    
 H   -3.694800     -0.7974000       2.433400    
 H   -5.244300     -0.1689000       1.819300    
 H   -5.111300      -1.820300       2.372500    


%chk=000032507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032507

0 1
O 0.144472 0.343521 0.070218
O 1.070949 1.070099 -1.931891
N -3.515733 -0.421930 -0.151202
C 2.463018 1.057818 0.143070
C 2.889236 -0.309763 0.780232
C 2.127940 2.045305 1.314742
C 3.186525 -1.457413 -0.210499
C 3.583218 1.626010 -0.759055
C 1.198497 0.841952 -0.706717
C 3.542402 -2.776513 0.513886
C 1.584497 3.426139 0.890386
C -1.147840 0.100983 -0.635506
C -2.171884 -0.253381 0.451791
C 3.862894 -3.929979 -0.460845
C -4.248333 0.862780 -0.293275
C -4.301066 -1.545718 0.417645
C -5.455862 0.775708 -1.244693
C -4.772544 -1.378934 1.889009
H 2.087216 -0.632803 1.472132
H 3.792242 -0.118547 1.396743
H 3.056741 2.179255 1.905457
H 1.391086 1.553800 1.977347
H 2.305245 -1.631072 -0.861853
H 4.022683 -1.180242 -0.882424
H 4.501335 1.775557 -0.161054
H 3.291103 2.590511 -1.206420
H 3.812325 0.943848 -1.593973
H 2.699177 -3.068812 1.172639
H 4.411905 -2.602862 1.180958
H 2.313837 3.991769 0.284075
H 1.349801 4.035671 1.782260
H 0.655057 3.330025 0.299023
H -1.022029 -0.726248 -1.355305
H -1.424782 1.009630 -1.199784
H -2.145395 0.530009 1.245066
H -1.865120 -1.201219 0.930390
H 4.722726 -3.673648 -1.108212
H 3.000718 -4.143236 -1.120721
H 4.112868 -4.861071 0.080419
H -4.581785 1.265612 0.696711
H -3.534552 1.603343 -0.701001
H -5.179723 -1.716343 -0.231037
H -3.678101 -2.456999 0.336598
H -5.143677 0.366162 -2.221557
H -6.259195 0.133622 -0.840899
H -5.885277 1.781541 -1.405790
H -3.914877 -1.228080 2.570525
H -5.456389 -0.518377 2.004163
H -5.313346 -2.284780 2.220928


