%chk=000055862.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055862

0 1
 O    1.926800      -4.115400     -0.3162000    
 N    3.475900       1.935900     -0.3677000    
 N   -5.085800     -6.7800000E-02  0.2107000    
 C    1.151400       1.715200      0.6088000    
 C    2.663100       1.366400      0.7080000    
 C   0.5452000      0.6847000     -0.3941000    
 C   0.8937000       3.180600      0.2500000    
 C    2.590700     -0.1310000      0.5551000    
 C    1.403600     -0.5210000     -8.5400000E-02
 C    1.821700       3.685300     -0.8473000    
 C    3.276400       3.372500     -0.5158000    
 C  -0.9457000      0.4862000     -0.2338000    
 C    3.549900      -1.064800      0.9164000    
 C    1.173600      -1.852900     -0.3980000    
 C    2.132700      -2.799200     -3.0200001E-02
 C   -1.797800      0.6929000      -1.318700    
 C   -1.469100      9.5500000E-02  0.9989000    
 C    3.310200      -2.408600      0.6254000    
 C   -3.172600      0.5089000      -1.171200    
 C   -2.843900     -8.8500001E-02   1.146600    
 C   -3.695700      0.1181000      6.1500002E-02
 C   0.7118000      -4.450900     -0.9834000    
 C   -5.893900     -0.4965000     -0.9135000    
 C   -5.722300      0.1541000       1.494000    
 H   0.7176000       1.554100       1.607100    
 H    3.059800       1.645600       1.690800    
 H   0.7717000      0.9878000      -1.425000    
 H    1.061400       3.790500       1.147600    
 H  -0.1516000       3.336100     -3.8600001E-02
 H    1.548400       3.232800      -1.808300    
 H    1.696000       4.768000     -0.9622000    
 H    3.232300       1.490400      -1.253400    
 H    3.921100       3.739200      -1.322000    
 H    3.586700       3.893200      0.3979000    
 H    4.470100     -0.7631000       1.405200    
 H   0.2542000      -2.093600     -0.9178000    
 H   -1.404800       1.000100      -2.284200    
 H  -0.8260000     -8.6900003E-02   1.855400    
 H    4.050800      -3.155200      0.9015000    
 H   -3.809100      0.6898000      -2.032700    
 H   -3.216700     -0.4075000       2.115800    
 H   0.7106000      -5.536600      -1.125700    
 H   0.6614000      -3.998800      -1.979800    
 H  -0.1643000      -4.208600     -0.3722000    
 H   -6.113100      0.3462000      -1.577600    
 H   -6.852200     -0.9084000     -0.5775000    
 H   -5.395900      -1.286100      -1.487500    
 H   -5.335400       1.054900       1.983800    
 H   -5.573700     -0.7064000       2.154800    
 H   -6.802500      0.2985000       1.379100    


%chk=000055862-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055862

0 1
O 2.099040 -4.214006 -0.066060
N 3.549911 1.988720 -0.361406
N -5.199412 -0.023933 0.196582
C 1.130137 1.796321 0.535115
C 2.654407 1.434285 0.699281
C 0.545895 0.666969 -0.395388
C 0.876491 3.248406 0.070608
C 2.629501 -0.083279 0.601564
C 1.441357 -0.522022 -0.030404
C 1.821732 3.693049 -1.072123
C 3.295296 3.415180 -0.677096
C -0.954248 0.456228 -0.251586
C 3.618677 -1.016341 0.978714
C 1.210427 -1.889950 -0.282266
C 2.203835 -2.822035 0.113927
C -1.856456 0.867045 -1.263270
C -1.515647 -0.125224 0.915576
C 3.403250 -2.389216 0.739622
C -3.251553 0.717755 -1.129671
C -2.904053 -0.287924 1.071076
C -3.814259 0.133962 0.048426
C 0.885535 -4.718809 -0.709227
C -6.105158 0.421387 -0.866732
C -5.742868 -0.618772 1.421732
H 0.653626 1.655147 1.527558
H 3.032526 1.803012 1.673792
H 0.745054 0.940067 -1.455022
H 1.031540 3.929979 0.932659
H -0.184352 3.359633 -0.228717
H 1.588534 3.145878 -2.008887
H 1.674939 4.770766 -1.283861
H 3.521759 1.399819 -1.206627
H 3.987689 3.722069 -1.482951
H 3.550581 4.016703 0.219620
H 4.547205 -0.681544 1.453733
H 0.277075 -2.207512 -0.757278
H -1.459723 1.315635 -2.183973
H -0.848998 -0.468070 1.717105
H 4.139630 -3.145471 1.028264
H -3.899580 1.054577 -1.943823
H -3.282040 -0.744836 1.990339
H 1.010794 -5.811209 -0.745072
H 0.778142 -4.321340 -1.737704
H -0.018860 -4.465129 -0.122020
H -6.018416 1.511747 -1.056522
H -7.146346 0.211695 -0.573983
H -5.909817 -0.104477 -1.824486
H -5.475230 -0.029332 2.323290
H -5.378804 -1.655936 1.575887
H -6.842062 -0.653967 1.356286


