%chk=000045250.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045250

0 1
 I    5.147400      -1.734200     -0.3249000    
 O    1.041600      -1.240600      0.7191000    
 O    1.946100      -1.709600      -1.345100    
 N   -3.079900     -0.4287000      0.1136000    
 C   -3.866200      0.5238000      0.9312000    
 C   -5.173400      0.9005000      0.2050000    
 C   -2.775400      0.1345000      -1.213700    
 C   -4.910300       1.456700      -1.188400    
 C   -4.044800      0.4916000      -1.983300    
 C   -1.828800     -0.8282000      0.7646000    
 C   -4.232200     -4.2100001E-02   2.310800    
 C   -1.125400      -1.904700     -5.5500001E-02
 C   0.1686000      -2.356200      0.6079000    
 C    1.881700      -1.030600     -0.3322000    
 C    2.738100      0.1585000     -9.2900001E-02
 C    4.115100      6.7000002E-02 -5.4600000E-02
 C    2.080200       1.361400      8.8500001E-02
 C    4.865000       1.220800      0.1737000    
 C    2.830100       2.515200      0.3168000    
 C    4.222500       2.445000      0.3594000    
 H   -3.282600       1.441800       1.087300    
 H   -5.724600       1.648500      0.7879000    
 H   -5.823800      1.9200001E-02  0.1248000    
 H   -2.267300     -0.5793000      -1.865000    
 H   -2.132900       1.020500      -1.125600    
 H   -4.404100       2.426400      -1.107900    
 H   -5.858100       1.629700      -1.709700    
 H   -4.615300     -0.4204000      -2.200900    
 H   -3.781100      0.9413000      -2.947500    
 H   -1.177500      4.1200001E-02  0.9180000    
 H   -2.027600      -1.264100       1.748900    
 H   -3.358200     -0.1216000       2.964400    
 H   -4.944100      0.6156000       2.822400    
 H   -4.695000      -1.031700       2.227100    
 H   -1.783900      -2.771800     -0.1866000    
 H  -0.8392000      -1.548700      -1.047500    
 H   0.6305000      -3.182400      5.4400001E-02
 H  -2.8500000E-02  -2.726000       1.620000    
 H   0.9966000       1.431000      5.1700000E-02
 H    5.951200       1.192200      0.2113000    
 H    2.329900       3.468600      0.4600000    
 H    4.806200       3.343500      0.5368000    


%chk=000045250-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045250

0 1
I 4.915863 -1.225703 -2.092754
O 1.118711 -1.127101 0.997667
O 2.053913 -1.947512 -0.971458
N -3.165995 -0.315356 0.002764
C -4.085230 0.583675 0.779589
C -5.425187 0.740520 0.014407
C -2.927882 0.221798 -1.367687
C -5.230402 1.261309 -1.424045
C -4.233570 0.353093 -2.171856
C -1.878946 -0.587927 0.697585
C -4.370146 0.045173 2.198748
C -1.121252 -1.793680 0.098994
C 0.093716 -2.215151 0.934699
C 2.048829 -1.095576 -0.052603
C 2.985296 0.065021 0.094963
C 4.183090 0.212807 -0.662641
C 2.651052 1.091982 1.027316
C 5.005554 1.350819 -0.486145
C 3.464785 2.225658 1.198902
C 4.647663 2.356682 0.437023
H -3.624050 1.605904 0.871262
H -6.079204 1.426574 0.587068
H -5.922349 -0.249841 -0.012692
H -2.238646 -0.457703 -1.897719
H -2.426713 1.226115 -1.316567
H -4.832210 2.296950 -1.392250
H -6.200523 1.304271 -1.954788
H -4.674154 -0.653519 -2.307123
H -4.005741 0.758964 -3.176418
H -1.209938 0.311290 0.701296
H -2.099555 -0.827548 1.752039
H -3.515353 0.154868 2.888614
H -5.216788 0.601679 2.640406
H -4.648740 -1.023722 2.147944
H -1.819881 -2.652660 0.054208
H -0.783196 -1.601282 -0.934596
H 0.569518 -3.116264 0.510038
H -0.167816 -2.380454 1.993597
H 1.735729 0.968347 1.610800
H 5.924905 1.449381 -1.069886
H 3.180499 2.999595 1.919100
H 5.294943 3.232123 0.556496


