%chk=000051355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051355

0 1
 N  -0.4351000      -1.024100     -7.1199998E-02
 N   -3.288100     -0.9590000     -0.1079000    
 N   0.4930000       1.859400      0.5315000    
 C   -1.119000      0.2003000     -0.5561000    
 C   -2.517900      0.2742000      0.1094000    
 C   -1.202300      -2.267800     -0.1999000    
 C  -0.4611000       1.554200     -0.4113000    
 C   -2.573500      -2.108700      0.4558000    
 C   0.9597000      -1.109200     -7.6899998E-02
 C    1.080300      0.9079000       1.453500    
 C    1.741100     -0.1927000      0.6656000    
 C  -0.6787000       2.710300      -1.143600    
 C   -4.620900     -0.8434000      0.4837000    
 C   0.8640000       3.173900      0.4226000    
 C    1.642300      -2.115600     -0.7879000    
 C   0.1497000       3.727800     -0.6148000    
 C    3.143200     -0.2894000      0.6704000    
 C    3.036500      -2.205800     -0.7758000    
 C    3.786800      -1.292400     -4.7200002E-02
 H   -1.268300      5.7900000E-02  -1.637600    
 H   -2.409100      0.4757000       1.185100    
 H   -3.073300       1.119700     -0.3181000    
 H  -0.6919000      -3.099800      0.3015000    
 H   -1.316500      -2.530100      -1.259500    
 H   -3.145900      -3.028200      0.2830000    
 H   -2.452900      -1.997000       1.541900    
 H   0.2857000      0.5209000       2.101500    
 H    1.796800       1.436200       2.092500    
 H   -1.373400       2.806600      -1.966800    
 H   -5.170500     -9.4999997E-03  3.3199999E-02
 H   -4.581800     -0.6854000       1.567600    
 H   -5.207900      -1.747600      0.2879000    
 H    1.608100       3.605200       1.078800    
 H    1.095600      -2.843900      -1.383100    
 H   0.2211000       4.751600     -0.9537000    
 H    3.741300      0.4204000       1.236700    
 H    3.532900      -2.990300      -1.339700    
 H    4.870400      -1.360000     -3.7799999E-02


%chk=000051355-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051355

0 1
N -0.426585 -0.986360 -0.065894
N -3.317401 -0.935208 -0.016005
N 0.433862 1.898481 0.574770
C -1.173723 0.227223 -0.540366
C -2.528772 0.293446 0.218635
C -1.214071 -2.214393 -0.313876
C -0.444030 1.544817 -0.456001
C -2.567464 -2.133008 0.416037
C 0.995218 -1.077991 -0.094040
C 1.051286 0.905958 1.480621
C 1.775828 -0.163731 0.685417
C -0.617842 2.677278 -1.268251
C -4.670451 -0.866475 0.566297
C 0.842025 3.222983 0.403362
C 1.667228 -2.117269 -0.796177
C 0.187791 3.736923 -0.724060
C 3.179876 -0.286376 0.715739
C 3.072602 -2.237620 -0.739569
C 3.840705 -1.319116 0.009858
H -1.431155 0.075960 -1.615104
H -2.318000 0.463106 1.306822
H -3.098682 1.161244 -0.157939
H -0.651751 -3.082419 0.071056
H -1.403278 -2.368782 -1.401702
H -3.164530 -3.033343 0.175804
H -2.377632 -2.128573 1.520925
H 0.252612 0.436124 2.087891
H 1.740679 1.440108 2.155028
H -1.261566 2.730990 -2.146232
H -5.203647 0.013082 0.163417
H -4.670092 -0.789023 1.683130
H -5.241910 -1.770172 0.286803
H 1.564699 3.679533 1.077564
H 1.092664 -2.821381 -1.406920
H 0.283927 4.750164 -1.110736
H 3.762971 0.424720 1.314327
H 3.567462 -3.042365 -1.295559
H 4.931548 -1.406233 0.048228


