%chk=000044934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044934

1 1
 O    1.159900     -7.0400000E-02  0.7802000    
 O    2.346200     -0.6975000      -1.118600    
 N   -1.654400       1.903400      5.7700001E-02
 N    3.231000      0.8311000      0.3857000    
 C  -0.9084000      0.9755000     -0.8905000    
 C  -0.9812000       1.882300       1.422400    
 C   -1.632000       3.320300     -0.4973000    
 C   -3.095900       1.435500      0.1960000    
 C  -0.8809000     -0.4484000     -0.4189000    
 C   0.1535000     -0.9032000      0.3927000    
 C   -1.904000      -1.307800     -0.8073000    
 C   0.1653000      -2.230800      0.8203000    
 C   -1.892700      -2.635500     -0.3795000    
 C  -0.8578000      -3.097100      0.4342000    
 C    2.267800     -3.5999998E-02 -8.7600000E-02
 C    4.483700       1.078600     -0.2895000    
 H   9.9399999E-02   1.383800      -1.028200    
 H   -1.401800       1.044700      -1.869400    
 H   7.1300000E-02   2.152200       1.302400    
 H   -1.474200       2.636700       2.045300    
 H   -1.115100      0.9081000       1.897200    
 H   -2.121900       3.316400      -1.475500    
 H   -2.169000       3.975200      0.1952000    
 H  -0.5896000       3.639000     -0.5912000    
 H   -3.531300       1.329900     -0.8020000    
 H   -3.133900      0.4989000      0.7574000    
 H   -3.644200       2.199700      0.7569000    
 H   -2.711000     -0.9688000      -1.450900    
 H   0.9675000      -2.597200       1.455100    
 H   -2.687800      -3.310700     -0.6821000    
 H  -0.8485000      -4.130900      0.7668000    
 H    3.046800       1.325900       1.252900    
 H    4.517100       2.134500     -0.5691000    
 H    4.586000      0.4557000      -1.181100    
 H    5.296000      0.8638000      0.4089000    


%chk=000044934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044934

1 1
O 1.250305 -0.091792 0.803320
O 1.978872 0.467599 -1.399107
N -1.738918 1.935334 0.017473
N 3.413109 0.556660 0.469902
C -0.997926 0.905563 -0.917450
C -1.107014 1.958269 1.406094
C -1.601972 3.313518 -0.623673
C -3.215827 1.581030 0.145144
C -0.916373 -0.500661 -0.375875
C 0.190131 -0.959384 0.393036
C -1.929879 -1.445251 -0.696934
C 0.261171 -2.288029 0.857561
C -1.869512 -2.777377 -0.239657
C -0.772440 -3.197408 0.547587
C 2.243492 0.320542 -0.182924
C 4.611677 1.069250 -0.215272
H 0.004423 1.322536 -1.102195
H -1.565444 0.928163 -1.863545
H -0.025931 2.128960 1.308007
H -1.577541 2.762468 1.993107
H -1.272441 0.986592 1.892383
H -2.009091 3.278173 -1.645750
H -2.159145 4.050181 -0.024607
H -0.536931 3.587879 -0.659230
H -3.683274 1.617799 -0.851104
H -3.306906 0.569221 0.564938
H -3.701825 2.310094 0.812115
H -2.763886 -1.135509 -1.338892
H 1.127328 -2.595362 1.450936
H -2.660113 -3.485143 -0.505759
H -0.712562 -4.230167 0.904689
H 3.457188 0.318069 1.462223
H 4.929617 2.033381 0.218479
H 4.371374 1.215015 -1.279376
H 5.442164 0.346685 -0.137042


