%chk=000045605.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045605

0 1
 N    3.054400      0.1455000     -0.5645000    
 N   -2.430400       1.882200      0.4950000    
 C   0.6743000      0.6972000      -1.017900    
 C  -0.6660000      0.9069000     -0.4337000    
 C    1.734500      0.3187000      3.2499999E-02
 C   -1.676000     -7.9200000E-02 -0.2537000    
 C   -2.772200      0.5588000      0.3307000    
 C   -1.159500       2.102200      3.5900000E-02
 C    4.040300     -0.2016000      0.4488000    
 C    5.417000     -0.3727000     -0.1882000    
 C   -1.763000      -1.457700     -0.5325000    
 C   -3.955900     -0.1155000      0.6514000    
 C   -2.940700      -2.145100     -0.2171000    
 C   -4.019100      -1.482300      0.3656000    
 C    6.462500     -0.7572000      0.8475000    
 H   0.6266000     -8.3700001E-02  -1.787800    
 H   0.9917000       1.611700      -1.536800    
 H    1.425500     -0.6061000      0.5367000    
 H    1.774300       1.106900      0.7954000    
 H  -0.7219000       3.089600      8.6099997E-02
 H    3.016500     -0.5832000      -1.276600    
 H    4.093100      0.5875000       1.208700    
 H    3.754800      -1.133600      0.9521000    
 H   -3.031400       2.588500      0.8967000    
 H    5.381500      -1.149400     -0.9619000    
 H    5.723300      0.5593000     -0.6785000    
 H  -0.9315000      -1.990200     -0.9851000    
 H   -4.795900      0.3996000       1.105200    
 H   -3.013400      -3.208500     -0.4296000    
 H   -4.924300      -2.035700      0.6024000    
 H    6.550300      1.2500000E-02   1.621000    
 H    6.205100      -1.704400       1.332300    
 H    7.441500     -0.8742000      0.3722000    


%chk=000045605-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045605

0 1
N 3.041028 0.193110 -0.473645
N -2.651962 1.971174 0.314706
C 0.704795 0.889646 -0.975681
C -0.708382 1.044193 -0.470067
C 1.677224 0.313725 0.085100
C -1.669610 -0.020179 -0.220396
C -2.879146 0.590953 0.270173
C -1.347083 2.237461 -0.133408
C 4.056807 -0.319013 0.472116
C 5.446890 -0.398160 -0.189546
C -1.630201 -1.432350 -0.373826
C -4.025967 -0.161802 0.607778
C -2.770477 -2.188972 -0.041410
C -3.955475 -1.560539 0.446182
C 6.531808 -0.925404 0.773828
H 0.714170 0.220134 -1.862263
H 1.108292 1.861971 -1.313021
H 1.273992 -0.656074 0.471475
H 1.717546 1.003376 0.950382
H -0.967711 3.256893 -0.182814
H 3.038110 -0.357193 -1.345886
H 4.101817 0.376924 1.334259
H 3.791748 -1.324791 0.891223
H -3.327551 2.671432 0.610941
H 5.390752 -1.059397 -1.079804
H 5.716199 0.608756 -0.560733
H -0.726674 -1.927176 -0.748316
H -4.939461 0.315638 0.980406
H -2.753652 -3.278618 -0.156259
H -4.826094 -2.176558 0.698099
H 6.626897 -0.270469 1.660426
H 6.288072 -1.943316 1.132638
H 7.519298 -0.968573 0.279645


