%chk=000017544.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017544

0 1
 O   -2.047000      -1.086500      -1.288700    
 N   0.1972000     -2.9899999E-02 -0.1352000    
 N   -2.399400      -2.391900      0.5999000    
 N   -3.706500      -2.676500      0.2600000    
 C    1.542200      0.2436000      0.3566000    
 C  -0.7388000      0.9975000      0.3251000    
 C    2.530600     -0.7766000     -0.2058000    
 C  -0.2913000       2.376800     -0.1555000    
 C  -0.2504000      -1.354800      0.2977000    
 C    3.952600     -0.4949000      0.2809000    
 C   -1.267700       3.463300      0.2968000    
 C   -1.647700      -1.586600     -0.2384000    
 C    4.936800      -1.527000     -0.2460000    
 C  -0.8106000       4.843600     -0.1475000    
 H    1.919000       1.208800      1.0200000E-02
 H    1.578700      0.2449000       1.453700    
 H   -1.756400      0.8550000     -4.8599999E-02
 H  -0.8046000      0.9970000       1.421900    
 H    2.506200     -0.7638000      -1.302800    
 H    2.291600      -1.794100      0.1180000    
 H   0.6778000       2.664800      0.2613000    
 H  -0.2045000       2.388900      -1.249000    
 H   0.3407000      -2.165100     -0.1392000    
 H  -0.2334000      -1.452400       1.390000    
 H    4.268400      0.5023000     -4.6900000E-02
 H    3.980400     -0.5004000       1.376900    
 H   -2.263400       3.264700     -0.1166000    
 H   -1.361500       3.451100       1.389100    
 H    5.947300      -1.303000      0.1099000    
 H    4.672500      -2.532900      9.5399998E-02
 H    4.954800      -1.528900      -1.340500    
 H   -1.526900       5.603400      0.1805000    
 H   0.1660000       5.091500      0.2804000    
 H  -0.7326000       4.898800      -1.238000    
 H   -2.031100      -2.788500       1.458600    
 H   -3.791800      -3.691800      0.2380000    
 H   -4.288500      -2.362000       1.035300    


%chk=000017544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017544

0 1
O -1.787419 -1.560539 -1.346841
N 0.256939 -0.108789 0.342455
N -2.663838 -2.173497 0.713031
N -3.935270 -2.556752 0.206747
C 1.675406 0.005450 0.763109
C -0.594393 1.033830 0.760885
C 2.653845 -0.761348 -0.152265
C -0.369733 2.296892 -0.096548
C -0.325536 -1.419483 0.662503
C 4.125975 -0.589610 0.287848
C -1.277158 3.471982 0.334163
C -1.634373 -1.699676 -0.100798
C 5.112314 -1.355143 -0.620332
C -1.060122 4.736450 -0.524970
H 1.947790 1.076543 0.737734
H 1.818303 -0.330437 1.824738
H -1.652414 0.729044 0.646042
H -0.449992 1.282587 1.845079
H 2.518349 -0.398647 -1.188919
H 2.408803 -1.843014 -0.164932
H 0.689599 2.619134 -0.037416
H -0.560969 2.031639 -1.153506
H 0.389161 -2.206374 0.358100
H -0.502097 -1.559044 1.765731
H 4.384872 0.489254 0.288065
H 4.241159 -0.937041 1.335506
H -2.339162 3.158248 0.266279
H -1.090719 3.712257 1.401445
H 6.158070 -1.219673 -0.288205
H 4.893758 -2.439784 -0.616696
H 5.040622 -1.003825 -1.666703
H -1.723795 5.561683 -0.207348
H -0.015651 5.093596 -0.448241
H -1.264547 4.528066 -1.591824
H -2.554118 -2.240841 1.726214
H -3.838553 -3.365896 -0.424117
H -4.366407 -1.768840 -0.298515


