%chk=000026898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026898

0 1
 O   -1.851700       2.337000      -1.471300    
 N   -4.056900      -1.694500      0.4295000    
 N   -1.247300      0.3866000      -2.468300    
 C  -0.9234000      0.5858000     -2.7999999E-03
 C   -1.211900       1.586700       1.201000    
 C   -1.824300     -0.6950000      0.2007000    
 C   0.5950000      0.2638000     -5.2200001E-02
 C   -3.341100     -0.4375000      0.2272000    
 C   -1.414100       1.190600      -1.360700    
 C  -0.8972000       1.015100       2.594700    
 C  -0.5218000       2.955400       1.077900    
 C    1.383200       1.036800     -0.8551000    
 C    1.050100     -0.7734000      0.7098000    
 C    3.262300     -0.3026000     -0.1397000    
 C    2.746900      0.7473000     -0.8997000    
 C    2.413800      -1.062900      0.6651000    
 C    4.720300     -0.6124000     -0.1877000    
 C   -3.798800      -2.615600     -0.6776000    
 C   -5.493100      -1.450900      0.5656000    
 C    5.004900      -2.023100     -0.7374000    
 C    5.405200     -0.4372000       1.181000    
 H   -2.281400       1.827900       1.188100    
 H   -1.575200      -1.215900       1.130400    
 H   -1.564100      -1.399700     -0.5963000    
 H   -3.675800      5.8499999E-02 -0.6913000    
 H   -3.582600      0.2234000       1.065000    
 H   0.1735000      0.8492000       2.742500    
 H   -1.431900      8.4500000E-02   2.796800    
 H   -1.214800       1.725300       3.367700    
 H   0.5623000       2.869100       1.205300    
 H  -0.7074000       3.467300      0.1339000    
 H  -0.8792000       3.625500       1.869100    
 H    1.016500       1.874000      -1.437700    
 H   0.4329000      -1.377200       1.361000    
 H    3.394800       1.353000      -1.527800    
 H    2.794800      -1.882500       1.268100    
 H    5.210200      9.2799999E-02 -0.8730000    
 H  -0.8346000     -0.5389000      -2.420400    
 H   -1.520500      0.7114000      -3.389800    
 H   -3.952700      -2.149400      -1.657700    
 H   -4.469000      -3.482100     -0.6162000    
 H   -2.792100      -3.041200     -0.6321000    
 H   -5.923300     -0.9995000     -0.3359000    
 H   -5.693800     -0.7868000       1.413800    
 H   -6.025500      -2.386300      0.7710000    
 H    4.619200      -2.806100     -7.5599998E-02
 H    6.083100      -2.181400     -0.8481000    
 H    4.542300      -2.157600      -1.721500    
 H    5.230600      0.5692000       1.577300    
 H    6.487500     -0.5794000       1.089400    
 H    5.035800      -1.157200       1.919200    


%chk=000026898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026898

0 1
O -2.315096 2.193760 -1.452172
N -4.113757 -1.706013 0.490369
N -1.023501 0.624485 -2.544888
C -0.983302 0.617426 -0.044783
C -1.273611 1.654700 1.120487
C -1.849131 -0.687409 0.134244
C 0.521188 0.260880 -0.106870
C -3.377569 -0.480079 0.082316
C -1.477381 1.243758 -1.392146
C -1.102943 1.039019 2.529240
C -0.442836 2.956060 1.013004
C 1.447678 1.114177 -0.767948
C 1.055649 -0.885092 0.542002
C 3.358574 -0.307695 -0.127833
C 2.830545 0.834655 -0.778893
C 2.439619 -1.162321 0.531729
C 4.861596 -0.597746 -0.136590
C -3.981360 -2.814049 -0.478951
C -5.534716 -1.412554 0.776142
C 5.183529 -1.948398 -0.830110
C 5.456359 -0.560114 1.297189
H -2.330669 1.954180 0.985722
H -1.626121 -1.152496 1.109731
H -1.541381 -1.410450 -0.645275
H -3.689182 -0.134034 -0.934835
H -3.663428 0.320056 0.789011
H -0.081380 0.639844 2.672914
H -1.824233 0.227069 2.731389
H -1.265228 1.820006 3.295005
H 0.632892 2.772075 1.185875
H -0.572376 3.437506 0.028647
H -0.788435 3.673778 1.780194
H 1.085042 2.010969 -1.282375
H 0.389627 -1.577722 1.065509
H 3.512715 1.518809 -1.299384
H 2.803855 -2.059099 1.048011
H 5.351955 0.205562 -0.723272
H -0.286083 -0.078536 -2.518836
H -1.373545 0.957598 -3.442922
H -4.373375 -2.554295 -1.496644
H -4.541575 -3.692117 -0.110576
H -2.924566 -3.112211 -0.584689
H -6.103676 -1.051920 -0.118825
H -5.604150 -0.636311 1.558841
H -6.033993 -2.323802 1.152341
H 4.734304 -2.794990 -0.278252
H 6.276206 -2.114068 -0.870018
H 4.791104 -1.971370 -1.862767
H 5.265097 0.413058 1.783973
H 6.549447 -0.725900 1.268933
H 5.011323 -1.348742 1.932236


