%chk=000034574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034574

0 1
 O    5.297200       1.306900      0.2269000    
 O    5.330400     -0.8848000      0.3483000    
 N  -0.8408000      9.0400003E-02 -0.5891000    
 N    4.712000      0.1972000      0.2019000    
 N   -1.430200      0.1481000      0.5150000    
 C    1.253400      -1.088000     -0.2262000    
 C   0.5452000      0.1024000     -0.3909000    
 C    2.634000      -1.056700     -2.9500000E-02
 C    3.306500      0.1649000      2.3000001E-03
 C    1.217700       1.324000     -0.3588000    
 C    2.598300       1.355300     -0.1621000    
 C   0.5552000      -2.408200     -0.2566000    
 C   -2.821600      0.1364000      0.3164000    
 C   -3.503900      -1.075600      0.2826000    
 C   -3.505900       1.336900      0.1546000    
 C   -4.884700      -1.087300      8.5299999E-02
 C   -4.886700       1.325200     -4.2700000E-02
 C   -5.576200      0.1131000     -7.7399999E-02
 H    3.168500      -1.995300      9.8399997E-02
 H   0.6751000       2.257200     -0.4869000    
 H    3.088600       2.325200     -0.1432000    
 H    1.263400      -3.243500     -0.2800000    
 H  -7.0600003E-02  -2.527800      0.6337000    
 H  -7.0200004E-02  -2.495600      -1.151400    
 H   -2.973000      -2.015400      0.4089000    
 H   -2.976800       2.285600      0.1810000    
 H   -5.421500      -2.031100      5.8300000E-02
 H   -5.425100       2.259900     -0.1693000    
 H   -6.651300      0.1041000     -0.2309000    


%chk=000034574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034574

0 1
O 5.307516 1.562674 0.052199
O 5.577609 -0.702868 0.049700
N -0.814495 -0.420277 -0.049675
N 4.839274 0.357958 0.042034
N -1.562140 0.655194 -0.023350
C 1.438541 -1.318262 -0.010617
C 0.594573 -0.159297 -0.021936
C 2.836686 -1.122585 0.010823
C 3.367450 0.184649 0.020455
C 1.154413 1.151666 -0.012704
C 2.542839 1.334048 0.008754
C 0.857929 -2.717571 -0.018755
C -2.969969 0.409187 -0.060365
C -3.572928 -0.880891 -0.128204
C -3.782306 1.574667 -0.025548
C -4.974397 -0.987807 -0.160363
C -5.187040 1.457608 -0.058134
C -5.785484 0.177221 -0.125505
H 3.524211 -1.972645 0.019763
H 0.469754 2.004345 -0.023340
H 3.001533 2.325865 0.016095
H 1.659624 -3.474616 -0.033094
H 0.226542 -2.891083 0.870470
H 0.208088 -2.873214 -0.897420
H -2.928041 -1.764370 -0.154249
H -3.287797 2.550159 0.026719
H -5.445605 -1.975497 -0.212947
H -5.812586 2.355890 -0.031346
H -6.876794 0.083354 -0.150862


