%chk=000054514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054514

0 1
 O    2.159200       1.118900      0.4113000    
 O   -4.759700     -0.4919000     -0.1458000    
 O   0.4570000     -0.1586000     -0.4257000    
 N    5.422000     -0.5960000      0.4292000    
 N   0.1056000       2.023600      0.3458000    
 C    6.732900     -0.2191000      0.9764000    
 C    5.520100     -0.9393000     -0.9964000    
 C    7.744200      -1.355700      0.8184000    
 C    6.491800      -2.099200      -1.218900    
 C    7.866800      -1.790300     -0.6375000    
 C    4.454500      0.4824000      0.6301000    
 C    3.067500      4.9500000E-02  0.1827000    
 C   0.8495000      0.8952000      6.0100000E-02
 C   -6.098500      -2.366700      0.5069000    
 C   -5.566400      -1.543500     -0.6577000    
 C   -6.964000      -3.528200      2.7000001E-02
 C   -1.278600       2.227500      0.1448000    
 C   -3.409300       1.412200     -0.6013000    
 C   -4.246600      0.3269000      -1.189400    
 C   -2.043500       1.209900     -0.4033000    
 C   -3.992500       2.629300     -0.2486000    
 C   -1.844100       3.442000      0.4997000    
 C   -7.457900      -4.372900       1.190400    
 C   -3.210000       3.644100      0.3018000    
 H    6.638700      6.3000000E-03   2.045700    
 H    7.116000      0.6850000      0.4850000    
 H    5.836500     -7.1599998E-02  -1.590100    
 H    4.567400      -1.289400      -1.401700    
 H    8.723200      -1.034700       1.192000    
 H    7.433200      -2.211800       1.430500    
 H    6.093500      -3.008500     -0.7506000    
 H    6.583500      -2.306000      -2.291200    
 H    8.339200     -0.9898000      -1.220000    
 H    8.514500      -2.670400     -0.7144000    
 H    4.401700      0.7509000       1.693400    
 H    4.749100       1.398800      0.1013000    
 H    3.026000     -0.1673000     -0.8877000    
 H    2.741400     -0.8331000      0.7463000    
 H   -5.254500      -2.741800       1.099500    
 H   -6.672200      -1.717600       1.180300    
 H   -6.400800      -1.122200      -1.230500    
 H   -4.964900      -2.175700      -1.321500    
 H   -6.389600      -4.163300     -0.6575000    
 H   -7.825300      -3.144600     -0.5322000    
 H   0.6144000       2.805700      0.7508000    
 H   -5.074500      0.7592000      -1.765600    
 H   -3.650700     -0.2803000      -1.882600    
 H   -1.651200      0.2457000     -0.6930000    
 H   -5.055900       2.798300     -0.3958000    
 H   -1.243700       4.239100      0.9294000    
 H   -6.619200      -4.799800       1.749500    
 H   -8.062300      -3.775100       1.880200    
 H   -8.076800      -5.197900      0.8241000    
 H   -3.664200       4.591600      0.5769000    


%chk=000054514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054514

0 1
O 2.760911 1.394259 1.781225
O -4.881094 -0.865511 0.085012
O 1.431040 -0.347220 0.899193
N 5.710402 0.016939 -0.151800
N 0.530536 1.706227 1.679893
C 6.704912 0.663508 -1.045045
C 5.380030 -1.359080 -0.608937
C 8.009474 -0.158395 -1.097542
C 6.641410 -2.245106 -0.645373
C 7.725422 -1.610542 -1.546925
C 4.507119 0.843327 0.095564
C 3.978940 0.582516 1.519124
C 1.538611 0.802866 1.396550
C -7.017731 -1.845024 -0.511557
C -5.502418 -2.063662 -0.492366
C -7.781699 -3.051501 -1.104708
C -0.870106 1.553454 1.476180
C -2.845252 0.297883 0.752638
C -3.426313 -0.974754 0.158252
C -1.442916 0.380078 0.928213
C -3.676893 1.379374 1.122612
C -1.703688 2.642358 1.848542
C -9.310110 -2.833868 -1.118247
C -3.096908 2.547005 1.669879
H 6.912556 1.678781 -0.658498
H 6.303602 0.777036 -2.087366
H 4.918804 -1.334970 -1.631956
H 4.626761 -1.792890 0.073059
H 8.725780 0.331449 -1.785178
H 8.462793 -0.166387 -0.087393
H 7.031496 -2.353351 0.385091
H 6.371012 -3.254449 -1.011055
H 7.370107 -1.606043 -2.598640
H 8.653457 -2.212523 -1.522297
H 4.777934 1.911681 0.009963
H 3.692853 0.645638 -0.641393
H 3.736464 -0.483828 1.666855
H 4.706684 0.915669 2.273981
H -7.362080 -1.651799 0.522907
H -7.238561 -0.932740 -1.098933
H -5.114906 -2.230465 -1.523810
H -5.241601 -2.957605 0.119748
H -7.544107 -3.963438 -0.519481
H -7.426953 -3.242050 -2.138341
H 0.849300 2.586794 2.089949
H -3.006146 -1.145711 -0.859736
H -3.141032 -1.851986 0.783343
H -0.789523 -0.451036 0.647531
H -4.756235 1.291752 0.979238
H -1.261516 3.552278 2.274010
H -9.696104 -2.673633 -0.094058
H -9.578319 -1.945291 -1.720055
H -9.838265 -3.705232 -1.546783
H -3.735435 3.389016 1.959418


