%chk=000018262.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018262

0 1
 O   0.9114000     -0.3510000      -1.853100    
 O   -1.266200     -0.3123000     -0.3075000    
 O  -4.0100001E-02  -1.920900      0.7868000    
 N   -4.911300     -0.7169000      6.0300000E-02
 C    1.117200     -0.1474000     -0.4403000    
 C    1.050200       1.347800     -0.1211000    
 C    2.462600     -0.7374000     -1.0700000E-02
 C  -9.6799999E-02 -0.9184000      8.4399998E-02
 C   -3.649300     -0.1190000     -0.3744000    
 C   -2.467500     -0.9175000      0.1522000    
 C   0.5623000       1.738400       1.104800    
 C    3.499800     -0.7388000     -0.9146000    
 C    1.479900       2.244200      -1.072200    
 C    2.582600      -1.244300       1.262700    
 C   -6.044200     -6.0000001E-03 -0.5309000    
 C   -5.006000     -0.7058000       1.519600    
 C   0.5010000       3.101400       1.395500    
 C    4.725600      -1.276800     -0.5230000    
 C    1.418700       3.607100     -0.7814000    
 C    3.808500      -1.782200       1.654200    
 C   0.9152000      -1.729500      -2.166200    
 C   0.9292000       4.035500      0.4523000    
 C    4.879900      -1.798600      0.7615000    
 C   -7.362500     -0.6514000     -0.1388000    
 H   -3.592500     -0.1081000      -1.470800    
 H   -3.562200      0.9290000     -5.7200000E-02
 H   -2.514400      -1.952900     -0.2067000    
 H   -2.421900     -0.9135000       1.244700    
 H   0.2358000       1.028000       1.857600    
 H    3.411200     -0.3208000      -1.912300    
 H    1.872800       1.932500      -2.034500    
 H    1.795200      -1.192100       2.005800    
 H   -6.053900       1.054100     -0.2475000    
 H   -5.963400     -4.8999999E-02  -1.624200    
 H   -4.931600      0.3066000       1.933700    
 H   -5.938500      -1.152000       1.878600    
 H   -4.242600      -1.332500       1.989300    
 H   0.1227000       3.435200       2.357300    
 H    5.561700      -1.284800      -1.216100    
 H    1.754300       4.334600      -1.514600    
 H    3.933700      -2.174800       2.659100    
 H    1.311700      -1.830200      -3.182300    
 H    1.501600      -2.394300      -1.525600    
 H  -0.1153000      -2.100400      -2.208200    
 H   -7.336900      -1.739300     -0.2645000    
 H   -7.655800     -0.4172000      0.8890000    
 H   -8.161300     -0.2687000     -0.7841000    
 H   0.8827000       5.096700      0.6792000    
 H    5.835800      -2.213300       1.067800    


%chk=000018262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018262

0 1
O 1.340927 -0.618550 -2.126718
O -1.243987 -0.330961 -0.235098
O -0.224597 -2.412715 -0.200644
N -4.934819 -0.429816 0.401354
C 1.160222 -0.385603 -0.658606
C 0.977069 1.135781 -0.506542
C 2.397623 -0.867028 0.120675
C -0.141129 -1.162891 -0.306796
C -3.582638 0.132607 0.159805
C -2.570436 -0.998550 -0.057651
C 1.080898 1.728224 0.776005
C 3.645442 -0.298291 -0.252074
C 0.677462 1.950435 -1.622984
C 2.364382 -1.813719 1.171915
C -6.020195 0.473493 -0.065496
C -5.114309 -0.869257 1.802693
C 0.883921 3.115829 0.941486
C 4.833191 -0.669468 0.408488
C 0.489764 3.341397 -1.458253
C 3.556186 -2.177664 1.843282
C 1.729751 -1.980770 -2.534147
C 0.587394 3.929808 -0.176766
C 4.792709 -1.611561 1.464933
C -7.403283 -0.202558 -0.090484
H -3.609520 0.756852 -0.750978
H -3.229630 0.788201 0.992088
H -2.803962 -1.581884 -0.964638
H -2.505726 -1.692733 0.798456
H 1.325284 1.106535 1.645206
H 3.670521 0.436446 -1.064715
H 0.601554 1.488619 -2.610209
H 1.421010 -2.285928 1.457690
H -6.074464 1.405091 0.556978
H -5.762472 0.789373 -1.093910
H -5.137243 -0.013565 2.524656
H -6.053611 -1.436520 1.908621
H -4.290717 -1.541804 2.097976
H 0.967507 3.561934 1.939092
H 5.787158 -0.222663 0.106729
H 0.264274 3.964876 -2.331187
H 3.514867 -2.910768 2.656743
H 1.829381 -1.919520 -3.629469
H 2.695957 -2.273800 -2.083463
H 0.958433 -2.723350 -2.260397
H -7.355917 -1.145517 -0.663529
H -7.778665 -0.429740 0.923068
H -8.140243 0.464759 -0.573626
H 0.439867 5.008532 -0.050418
H 5.713910 -1.898597 1.984460


