%chk=000040653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040653

0 1
 O    1.088900      0.2346000     -0.7386000    
 O   -2.395600      0.2089000      4.6799999E-02
 O    2.096800      -2.382400      -1.305700    
 O    2.020100      -2.979500      0.9161000    
 O   -1.290200      0.1174000      -1.977700    
 N   -7.184500      0.1525000      0.7707000    
 C    2.256000       2.792700     -0.3134000    
 C    2.925300       1.523500      9.9799998E-02
 C    2.318200      0.2884000     -0.1271000    
 C    2.959200     -0.8866000      0.2658000    
 C    4.173500       1.583500      0.7197000    
 C    1.942400       3.708000      0.8842000    
 C    3.067800       3.568400      -1.367200    
 C    4.207200     -0.8265000      0.8859000    
 C    4.814400      0.4087000       1.112900    
 C   -4.762100      0.1634000      0.4137000    
 C   -6.137500      9.9799998E-02 -0.2425000    
 C   -3.646700      0.1324000     -0.6224000    
 C    4.917700      -2.067700       1.318300    
 C  -4.9199998E-02  0.2785000      9.8700002E-02
 C    2.320700      -2.176500      2.6500000E-02
 C   -1.285900      0.1918000     -0.7564000    
 C   -8.434200      0.6533000      0.1956000    
 C   -7.393400      -1.169000       1.365400    
 C    1.471400      -3.617800      -1.669100    
 H    1.293300       2.580800     -0.7919000    
 H    4.666300       2.533400      0.9076000    
 H    1.368200       4.582300      0.5586000    
 H    1.348100       3.177300       1.636300    
 H    2.852800       4.072300       1.372200    
 H    3.279200       2.937000      -2.237300    
 H    2.508100       4.443400      -1.715400    
 H    4.024500       3.923300     -0.9695000    
 H    5.785700      0.4735000       1.596200    
 H   -4.667600       1.075900       1.017000    
 H   -4.608300     -0.6701000       1.109100    
 H   -6.231100     -0.7866000     -0.8832000    
 H   -6.215100      0.9709000     -0.9071000    
 H   -3.696000     -0.7991000      -1.198700    
 H   -3.745700      0.9834000      -1.306700    
 H    4.410100      -2.519400       2.176600    
 H    4.969700      -2.794400      0.5007000    
 H    5.950200      -1.857800       1.619000    
 H  -4.3900002E-02 -0.5746000      0.7858000    
 H  -7.8500003E-02   1.218000      0.6597000    
 H   -8.797300      1.7000001E-02 -0.6198000    
 H   -9.214900      0.7114000      0.9623000    
 H   -8.302100       1.670300     -0.1904000    
 H   -8.170300      -1.118900       2.137200    
 H   -7.701500      -1.914400      0.6230000    
 H   -6.492100      -1.533800       1.867600    
 H    1.367600      -3.639700      -2.757000    
 H   0.4764000      -3.682200      -1.218600    
 H    2.093000      -4.462000      -1.356700    


%chk=000040653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040653

0 1
O 1.043921 0.235505 -0.856464
O -2.500838 0.246436 -0.038570
O 3.101561 -2.981600 -1.153531
O 1.192527 -2.586521 0.106069
O -1.434296 0.132821 -2.115853
N -7.384228 0.451028 0.739532
C 2.103783 2.864321 -0.156032
C 2.837309 1.560023 0.162452
C 2.283953 0.294258 -0.162381
C 2.995056 -0.918008 0.065537
C 4.120030 1.566127 0.762919
C 1.782897 3.668455 1.132143
C 2.915750 3.727090 -1.159057
C 4.290838 -0.891126 0.656951
C 4.825445 0.371767 1.010782
C -4.894089 0.295932 0.364830
C -6.309224 0.172150 -0.241629
C -3.826055 0.215322 -0.725928
C 5.088648 -2.155341 0.927165
C -0.139137 0.155092 0.010833
C 2.321674 -2.208487 -0.295110
C -1.377775 0.179770 -0.873041
C -8.697994 0.599737 0.079094
C -7.438039 -0.530568 1.842528
C 2.495171 -4.268022 -1.581206
H 1.151925 2.599080 -0.651429
H 4.578902 2.524371 1.033684
H 1.211716 4.582236 0.884376
H 1.185597 3.071013 1.845417
H 2.709207 3.980648 1.650013
H 3.118495 3.167075 -2.088962
H 2.352878 4.641808 -1.422133
H 3.885991 4.038748 -0.728614
H 5.814801 0.413847 1.480229
H -4.817058 1.260123 0.898943
H -4.707049 -0.508754 1.098965
H -6.425403 -0.845492 -0.704669
H -6.414049 0.909613 -1.062170
H -3.892060 -0.720684 -1.312456
H -3.875713 1.066712 -1.429980
H 4.494795 -2.906704 1.479712
H 5.406973 -2.630705 -0.016984
H 5.987080 -1.926524 1.524958
H -0.119503 -0.792915 0.582617
H -0.178890 1.005178 0.721084
H -9.052885 -0.335750 -0.425418
H -9.457566 0.891413 0.826272
H -8.644488 1.398722 -0.681957
H -8.254569 -0.257077 2.534047
H -7.619152 -1.578933 1.489305
H -6.496634 -0.519273 2.416731
H 3.242889 -4.719603 -2.247741
H 1.548532 -4.077732 -2.113313
H 2.297450 -4.909601 -0.705961


