%chk=000049544.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049544

0 1
 N   -3.752100      0.2215000     -0.1141000    
 N    1.132400      0.1488000      0.7017000    
 C   -1.296100      0.1455000      0.2422000    
 C   -1.214800      -1.162600     -0.5523000    
 C   -2.682000      0.2983000      0.8916000    
 C  -0.1934000      0.2050000       1.297400    
 C   -2.378100      -1.265200      -1.532800    
 C   -3.719200      -1.062100     -0.8278000    
 C   -5.058600      0.4250000      0.5119000    
 C    1.851900       1.248500      0.3068000    
 C    1.827100      -1.010000      0.4620000    
 C   -6.195900      0.4173000     -0.5026000    
 C    3.061000      0.7823000     -0.2098000    
 C    3.045300     -0.6453000     -0.1118000    
 C    1.528400       2.608900      0.3666000    
 C    1.474200      -2.342000      0.7067000    
 C    3.995600       1.722700     -0.6920000    
 C    3.958600      -1.662800     -0.4594000    
 C   -7.557000      0.6502000      0.1377000    
 C    2.470500       3.520900     -0.1169000    
 C    2.395600      -3.331800      0.3542000    
 C    3.686400       3.086500     -0.6388000    
 C    3.620000      -2.999600     -0.2205000    
 H   -1.156100      0.9787000     -0.4617000    
 H   -1.268600      -2.023000      0.1228000    
 H  -0.2946000      -1.226700      -1.139000    
 H   -2.820900     -0.4697000       1.664700    
 H   -2.722700       1.273700       1.392900    
 H  -0.2803000     -0.6164000       2.018000    
 H  -0.2615000       1.127300       1.885000    
 H   -2.258800     -0.5120000      -2.322300    
 H   -2.362200      -2.245800      -2.022500    
 H   -4.465700      -1.104000      -1.625300    
 H   -3.911300      -1.899800     -0.1447000    
 H   -5.065100       1.396100       1.023400    
 H   -5.246700     -0.3394000       1.277800    
 H   -6.023800       1.185400      -1.266200    
 H   -6.276000     -0.5444000      -1.017600    
 H   0.5829000       2.959800      0.7657000    
 H   0.5443000      -2.620900       1.187300    
 H    4.948300       1.399600      -1.102000    
 H    4.917700      -1.419600     -0.9078000    
 H   -7.589600       1.620700      0.6429000    
 H   -8.343400      0.6369000     -0.6235000    
 H   -7.781900     -0.1282000      0.8739000    
 H    2.249100       4.584600     -8.6000003E-02
 H    2.155500      -4.375600      0.5397000    
 H    4.404200       3.813300      -1.009600    
 H    4.322200      -3.785700     -0.4849000    


%chk=000049544-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049544

0 1
N -3.836636 0.085767 -0.126432
N 1.124568 -0.040302 0.684747
C -1.355945 -0.093794 0.170931
C -1.336383 -1.357029 -0.719399
C -2.731552 0.045298 0.861862
C -0.233011 -0.101423 1.240222
C -2.525579 -1.335630 -1.704121
C -3.858886 -1.148260 -0.952559
C -5.140750 0.375596 0.523610
C 1.756692 1.137958 0.241146
C 2.020986 -1.117550 0.526804
C -6.250322 0.794674 -0.463532
C 3.085871 0.816845 -0.206305
C 3.254665 -0.619361 -0.023959
C 1.262868 2.460978 0.213589
C 1.846245 -2.486146 0.828936
C 3.925015 1.846716 -0.690785
C 4.321295 -1.514846 -0.269052
C -7.531716 1.243528 0.272670
C 2.121720 3.471657 -0.270511
C 2.927512 -3.358809 0.579071
C 3.438280 3.171171 -0.720294
C 4.153567 -2.882483 0.035206
H -1.221090 0.793404 -0.480134
H -1.412120 -2.258153 -0.072844
H -0.377445 -1.429508 -1.264258
H -2.859802 -0.805346 1.588814
H -2.762867 0.983528 1.450435
H -0.312126 -1.014331 1.859792
H -0.365953 0.761738 1.923421
H -2.400303 -0.501745 -2.421311
H -2.560925 -2.276002 -2.286962
H -4.687568 -1.076249 -1.678051
H -4.052112 -2.052236 -0.312376
H -4.976702 1.210783 1.233720
H -5.499222 -0.497133 1.133057
H -5.862193 1.616284 -1.095115
H -6.499826 -0.042109 -1.144091
H 0.250073 2.705898 0.550094
H 0.906565 -2.871407 1.237784
H 4.940493 1.622425 -1.036301
H 5.266818 -1.152588 -0.688127
H -7.333706 2.117150 0.922101
H -8.323395 1.528920 -0.443396
H -7.931836 0.433296 0.911706
H 1.765441 4.507552 -0.303242
H 2.817664 -4.425449 0.805623
H 4.077195 3.979328 -1.092445
H 4.971242 -3.587706 -0.148739


