%chk=000040389.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040389

0 1
 N    3.627900      0.6943000     -0.6300000    
 N  -0.4493000       1.288800       2.936400    
 C  -0.5638000      0.5747000      0.3864000    
 C    2.189100      0.5686000     -0.8914000    
 C   1.9600000E-02   1.742300     -0.4576000    
 C    1.534800       1.835200     -0.3306000    
 C   0.2796000     -0.7072000      0.2487000    
 C    1.564200     -0.7054000     -0.3436000    
 C   -2.020000      0.3789000     -0.1014000    
 C  -0.2317000      -1.921700      0.7613000    
 C    2.244100      -1.932100     -0.4860000    
 C  -0.4995000      0.9762000       1.820200    
 C    3.883100      0.6893000      0.8082000    
 C    4.148400       1.914300      -1.241700    
 C   0.4750000      -3.115700      0.6395000    
 C    1.708200      -3.122600      4.4000000E-03
 C   -3.071000      0.5816000      0.7828000    
 C   -2.256200      2.7000001E-03  -1.416700    
 C   -4.383000      0.4047000      0.3434000    
 C   -3.568200     -0.1740000      -1.856200    
 C   -4.631500      2.7000001E-02 -0.9761000    
 H    2.023600      0.5335000      -1.977700    
 H  -0.4319000       2.697400     -0.1531000    
 H  -0.2076000       1.635500      -1.526100    
 H    1.826000       2.727800     -0.8959000    
 H    1.757900       2.034900      0.7208000    
 H   -1.199800      -1.947300       1.256800    
 H    3.211900      -1.969500     -0.9817000    
 H    3.418800     -0.1447000       1.343000    
 H    3.626200       1.619900       1.324600    
 H    4.962000      0.5568000      0.9614000    
 H    3.834600       2.009000      -2.287800    
 H    5.243600       1.856700      -1.262300    
 H    3.901900       2.837500     -0.7061000    
 H   5.7399999E-02  -4.038000       1.031800    
 H   -2.938700      0.8749000       1.817700    
 H   -1.444000     -0.1741000      -2.115800    
 H    2.258600      -4.052100     -0.1076000    
 H   -5.211600      0.5606000       1.028100    
 H   -3.761900     -0.4716000      -2.882600    
 H   -5.653000     -0.1117000      -1.318000    


%chk=000040389-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040389

0 1
N 3.660852 0.744920 -0.548108
N -0.518295 1.171060 3.019606
C -0.653507 0.552899 0.415149
C 2.188545 0.738401 -0.768068
C -0.086360 1.780206 -0.383866
C 1.425102 1.948017 -0.161829
C 0.246346 -0.697650 0.202146
C 1.564154 -0.598108 -0.325589
C -2.119685 0.320053 -0.027699
C -0.259280 -1.965529 0.587750
C 2.323123 -1.786218 -0.488552
C -0.595704 0.887658 1.862730
C 4.091237 0.733640 0.864257
C 4.381664 1.744428 -1.355905
C 0.509364 -3.134895 0.433361
C 1.810125 -3.044090 -0.116637
C -3.217455 0.755846 0.752119
C -2.369130 -0.269544 -1.294110
C -4.540875 0.605053 0.276583
C -3.688542 -0.419658 -1.769084
C -4.782219 0.019138 -0.985359
H 2.062003 0.801005 -1.872293
H -0.644280 2.686116 -0.085840
H -0.296351 1.605473 -1.457003
H 1.772557 2.882994 -0.639117
H 1.635488 2.033770 0.921167
H -1.270350 -2.030251 1.005742
H 3.336386 -1.682205 -0.891654
H 3.547829 -0.052162 1.416043
H 3.932701 1.703349 1.395199
H 5.170702 0.499374 0.912308
H 4.084547 1.653640 -2.416851
H 5.468481 1.552765 -1.288783
H 4.209810 2.803220 -1.038451
H 0.100126 -4.104373 0.737643
H -3.043490 1.207792 1.735293
H -1.528826 -0.628689 -1.899717
H 2.419088 -3.945716 -0.247254
H -5.379849 0.943786 0.894516
H -3.864739 -0.881091 -2.747233
H -5.807495 -0.099025 -1.353112


