%chk=000045223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045223

0 1
 O    3.249200      -1.576100     -0.2937000    
 O   -2.849100      -1.489600       1.284600    
 N   -4.148800      0.5492000     -3.0200001E-02
 C   -2.730800      0.7007000      0.2767000    
 C    1.543800     -0.1582000      0.1482000    
 C  -0.7286000     -0.9282000      0.4435000    
 C    2.743000      0.6038000      3.1399999E-02
 C   -4.340600     -0.4133000      -1.116000    
 C   -4.739400       1.840600     -0.3854000    
 C    1.910600      -1.484300     -5.9500001E-02
 C   -2.131100     -0.6463000      0.7089000    
 C   0.1907000      0.1289000      0.4065000    
 C    3.754500     -0.3124000     -0.2391000    
 C  -0.3187000      -2.246300      0.2298000    
 C    1.019700      -2.555900     -2.8400000E-02
 C    3.082000       1.966300      0.1250000    
 C   -5.813800     -0.5815000      -1.446800    
 C   -4.608900       2.836200      0.7548000    
 C    5.092100      3.2099999E-02 -0.4253000    
 C    4.419400       2.343100     -5.7300001E-02
 C    5.405000       1.391200     -0.3277000    
 H   -2.187500       1.091100     -0.5921000    
 H   -2.564000       1.363300       1.132300    
 H   -3.801100     -0.1090000      -2.022500    
 H   -3.971300      -1.407500     -0.8470000    
 H   -4.294000       2.259000      -1.296800    
 H   -5.815900       1.744400     -0.5577000    
 H  -0.1092000       1.156500      0.5864000    
 H   -1.039400      -3.061100      0.2551000    
 H    1.344900      -3.575700     -0.1966000    
 H    2.327500       2.718700      0.3345000    
 H   -5.946300      -1.467100      -2.079000    
 H   -6.217400      0.2630000      -2.013900    
 H   -6.419300     -0.7334000     -0.5467000    
 H   -4.927400       2.404200       1.709700    
 H   -3.589700       3.220400      0.8603000    
 H   -5.249700       3.703700      0.5596000    
 H    5.851400     -0.7120000     -0.6346000    
 H    4.692600       3.392800      1.3000000E-02
 H    6.434600       1.712100     -0.4648000    


%chk=000045223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045223

0 1
O 3.484167 -1.568131 0.494151
O -2.924643 -1.858535 0.197720
N -4.155911 0.635020 -0.356227
C -2.695412 0.529992 -0.322160
C 1.629117 -0.201705 0.051739
C -0.661896 -1.035463 0.134944
C 2.835479 0.613159 -0.090018
C -4.776820 -0.077567 -1.507533
C -4.633420 2.033402 -0.200661
C 2.074565 -1.511205 0.404483
C -2.154909 -0.871986 0.021564
C 0.246255 0.035090 -0.084219
C 3.933631 -0.252478 0.186745
C -0.168311 -2.331728 0.485414
C 1.207952 -2.590857 0.627231
C 3.099630 1.963280 -0.416750
C -6.224346 -0.516262 -1.219584
C -4.510812 2.560649 1.242464
C 5.273491 0.150215 0.155953
C 4.443265 2.397853 -0.455773
C 5.514243 1.505326 -0.173686
H -2.212284 0.844558 -1.288722
H -2.304766 1.224680 0.446315
H -4.740754 0.550484 -2.434815
H -4.179253 -0.983349 -1.701470
H -4.108895 2.729875 -0.906071
H -5.700073 2.049751 -0.486436
H -0.113399 1.031729 -0.357502
H -0.906747 -3.124255 0.643276
H 1.587181 -3.579889 0.896282
H 2.284433 2.660920 -0.635940
H -6.638917 -1.064840 -2.086021
H -6.891640 0.341877 -1.018095
H -6.237396 -1.179668 -0.338620
H -5.057986 1.895800 1.932555
H -3.460641 2.613994 1.584531
H -4.933894 3.579865 1.317651
H 6.085683 -0.547773 0.375236
H 4.667465 3.439825 -0.707137
H 6.545566 1.871744 -0.211614


