%chk=000049539.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049539

0 1
 N   -3.670200     -1.5200000E-02 -0.6237000    
 N   9.7800002E-02 -0.4059000     -0.6682000    
 C   -2.282300     -4.5200001E-02 -0.1073000    
 C   -1.931000       1.299200      0.5616000    
 C   -1.246800     -0.3161000      -1.208200    
 C   -2.920200       1.663000       1.661200    
 C   -4.632400      0.2790000      0.4530000    
 C   -4.341700       1.620000       1.122900    
 C   0.9532000      0.6598000     -0.5275000    
 C   0.6843000      -1.568400     -0.2306000    
 C   -4.052500      -1.268800      -1.280200    
 C    2.136900      0.1672000      2.2299999E-02
 C    1.966900      -1.241400      0.2103000    
 C   0.7700000       2.010900     -0.8433000    
 C   0.1805000      -2.873600     -0.1918000    
 C    3.192400       1.069800      0.2700000    
 C    2.788900      -2.270200      0.7163000    
 C    3.024400       2.423800     -4.1000001E-02
 C    1.830100       2.885300     -0.5895000    
 C    1.013700      -3.875200      0.3136000    
 C    2.299000      -3.580300      0.7616000    
 C    4.139000       3.382300      0.2184000    
 H   -2.203700     -0.8346000      0.6543000    
 H   -1.940900       2.107500     -0.1773000    
 H  -0.9574000       1.265700       1.054200    
 H   -1.260600      0.4659000      -1.976700    
 H   -1.433900      -1.256500      -1.734800    
 H   -2.697100       2.661000       2.054700    
 H   -2.820900      0.9574000       2.495300    
 H   -4.625400     -0.5191000       1.207400    
 H   -5.647900      0.3259000      4.0399998E-02
 H   -5.052300       1.787900       1.940100    
 H   -4.487000       2.432900      0.4002000    
 H   -3.502500      -1.415200      -2.214400    
 H   -5.110300      -1.248600      -1.568400    
 H   -3.893500      -2.138600     -0.6329000    
 H  -0.1312000       2.385300      -1.313200    
 H  -0.8206000      -3.115900     -0.5320000    
 H    4.124700      0.7125000      0.6995000    
 H    3.793700      -2.056000       1.069400    
 H    1.709900       3.937800     -0.8363000    
 H   0.6514000      -4.899100      0.3587000    
 H    2.929600      -4.375000       1.151200    
 H    4.048700       3.798800       1.226500    
 H    5.113200       2.889900      0.1278000    
 H    4.128700       4.205600     -0.5042000    


%chk=000049539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049539

0 1
N -3.720897 0.066083 -0.685381
N 0.086389 -0.273151 -0.599555
C -2.377259 -0.084867 -0.047353
C -2.101772 1.103549 0.904650
C -1.273263 -0.180862 -1.140539
C -3.203660 1.248928 1.973308
C -4.800527 0.178324 0.337545
C -4.579371 1.369256 1.286025
C 1.046532 0.760816 -0.554034
C 0.669974 -1.446507 -0.083944
C -4.049409 -1.016026 -1.643885
C 2.265763 0.242105 0.001959
C 2.027027 -1.163628 0.303875
C 0.947576 2.107072 -0.966597
C 0.110808 -2.735973 0.057218
C 3.388652 1.091809 0.142253
C 2.824342 -2.196850 0.848783
C 3.310713 2.441954 -0.267353
C 2.084586 2.927319 -0.818569
C 0.929442 -3.751125 0.597901
C 2.271195 -3.487133 0.993623
C 4.503463 3.374924 -0.131719
H -2.348355 -1.030827 0.560723
H -2.054027 2.031741 0.300686
H -1.113937 0.963433 1.379209
H -1.344712 0.710228 -1.789383
H -1.440131 -1.067950 -1.777755
H -3.003382 2.129413 2.612280
H -3.198213 0.359477 2.636834
H -4.871515 -0.762723 0.946403
H -5.761093 0.294003 -0.198861
H -5.395495 1.397332 2.033391
H -4.624776 2.308777 0.702116
H -3.401440 -0.974217 -2.535002
H -5.089009 -0.880918 -1.990865
H -3.968845 -2.040175 -1.196471
H 0.022941 2.514867 -1.387697
H -0.921842 -2.950480 -0.237310
H 4.323546 0.705057 0.565371
H 3.859101 -2.001128 1.151861
H 2.027411 3.976257 -1.135531
H 0.522207 -4.761510 0.718424
H 2.877537 -4.296959 1.413649
H 4.271719 4.238362 0.520798
H 5.375021 2.854096 0.301405
H 4.811686 3.783327 -1.113085


