%chk=000050819.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050819

0 1
 O    1.466300     -0.1786000     -6.4499997E-02
 O    2.323200      -2.175900     -0.8235000    
 N   -2.215400     -3.9099999E-02  4.0600002E-02
 N    7.526600       1.358400      0.3890000    
 C   -3.150100       1.041800      0.3517000    
 C  -0.8351000      0.4165000      0.2017000    
 C   -4.580900      0.6249000      0.1379000    
 C   0.1414000     -0.6695000     -0.2210000    
 C   -2.473400      -1.199200      0.8928000    
 C   -5.170600      0.8174000      -1.103700    
 C   -5.290300      5.4299999E-02   1.185400    
 C   -6.496500      0.4316000      -1.301700    
 C   -6.616100     -0.3315000      0.9875000    
 C    2.466600      -1.038100     -0.4036000    
 C    3.795000     -0.4088000     -0.1941000    
 C   -7.219100     -0.1428000     -0.2562000    
 C    4.869100      -1.211000      0.1327000    
 C    3.914700      0.9589000     -0.3338000    
 C    6.264200      0.7606000      0.1927000    
 C    6.117300     -0.6198000      0.3282000    
 C    5.162900       1.550000     -0.1383000    
 H   -2.943500       1.910200     -0.2885000    
 H   -3.021800       1.398700       1.383500    
 H  -0.6248000      0.7254000       1.234600    
 H  -0.6524000       1.301700     -0.4217000    
 H  -2.3700001E-02 -0.9461000      -1.269500    
 H   6.8300001E-02  -1.562200      0.4051000    
 H   -1.818600      -2.044300      0.6653000    
 H   -3.461100      -1.633100      0.7134000    
 H   -2.371900     -0.9679000       1.959600    
 H   -4.616500       1.262100      -1.925500    
 H   -4.839900     -8.5199997E-02   2.164200    
 H   -6.965900      0.5782000      -2.270000    
 H   -7.180000     -0.7757000       1.802400    
 H   -8.251500     -0.4425000     -0.4100000    
 H    4.766500      -2.286400      0.2440000    
 H    3.076200       1.593700     -0.6041000    
 H    6.967900      -1.245600      0.5864000    
 H    5.265500       2.626400     -0.2499000    
 H    7.633100       2.359500      0.2929000    
 H    8.325100      0.7869000      0.6311000    


%chk=000050819-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050819

0 1
O 1.448072 -0.165268 0.006905
O 2.329029 -2.081345 -0.994102
N -2.262943 -0.271816 0.491765
N 7.653137 1.482082 0.178550
C -3.225187 0.814922 0.798923
C -0.852020 0.155093 0.640852
C -4.630499 0.542124 0.267371
C 0.092806 -0.751583 -0.158490
C -2.574266 -1.513860 1.234695
C -4.815776 -0.074723 -0.995964
C -5.769637 0.948585 1.004367
C -6.114443 -0.275064 -1.513106
C -7.071529 0.754279 0.486908
C 2.514457 -0.950194 -0.472272
C 3.823787 -0.289348 -0.285034
C -7.248051 0.141911 -0.774985
C 4.995174 -0.970404 -0.716382
C 3.958882 0.997194 0.305144
C 6.398852 0.901408 0.026827
C 6.262569 -0.391634 -0.565942
C 5.222395 1.586398 0.460302
H -2.838158 1.738244 0.323026
H -3.286134 1.025833 1.897877
H -0.519483 0.176195 1.708591
H -0.752682 1.183507 0.247616
H -0.175959 -0.758262 -1.229657
H 0.110342 -1.794307 0.203696
H -1.929355 -2.340987 0.893976
H -3.621000 -1.803522 1.043664
H -2.439093 -1.397178 2.339501
H -3.928729 -0.402957 -1.549302
H -5.638609 1.417796 1.987967
H -6.244387 -0.754617 -2.490286
H -7.943899 1.073606 1.068708
H -8.256026 -0.012791 -1.176537
H 4.882441 -1.960534 -1.170793
H 3.060128 1.524444 0.637251
H 7.156524 -0.929770 -0.903681
H 5.312655 2.579685 0.916698
H 7.755161 2.402106 0.597526
H 8.492253 0.998653 -0.129073


