%chk=000047556.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047556

0 1
 O   -2.143500      0.6044000     -0.5735000    
 O   -3.209000      0.1906000       1.418200    
 N    1.054800      0.8456000      0.4931000    
 N   -4.205900     -0.2854000     -0.6228000    
 C    2.070000     -9.2900001E-02  6.6999998E-03
 C   0.2778000       1.365200     -0.6589000    
 C  -0.1500000      8.9000002E-02  0.9130000    
 C   -1.003000       1.111500      0.1487000    
 C    3.059800      0.6225000     -0.9540000    
 C    2.878300     -0.6329000       1.218800    
 C    1.410300      -1.218200     -0.6936000    
 C    3.779500       1.841600     -0.3803000    
 C    3.951700      -1.667500      0.8827000    
 C   -3.191100      0.1708000      0.1919000    
 C   0.8768000      -2.131600      -1.262600    
 C   -5.456400     -0.8127000     -0.1274000    
 H   0.2943000      0.8227000      -1.611800    
 H   0.4667000       2.421900     -0.8785000    
 H  -0.3061000      0.1283000       1.999600    
 H  -0.3610000     -0.9454000      0.6359000    
 H   -1.281000       1.985400      0.7558000    
 H    3.813900     -8.4200002E-02  -1.323100    
 H    2.541300      0.9464000      -1.866600    
 H    3.338600      0.1877000       1.782300    
 H    2.187700      -1.116700       1.924800    
 H    3.077300       2.595700     -1.3900000E-02
 H    4.456200       1.567700      0.4336000    
 H    4.387700       2.310100      -1.161600    
 H    3.544900      -2.526100      0.3416000    
 H    4.765100      -1.234100      0.2947000    
 H    4.394700      -2.047200       1.810000    
 H   0.4024000      -2.940800      -1.766600    
 H   -4.066500     -0.2490000      -1.627900    
 H   -5.489800     -0.7982000      0.9645000    
 H   -5.560700      -1.838700     -0.4885000    
 H   -6.267700     -0.2028000     -0.5319000    


%chk=000047556-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047556

0 1
O -2.217348 0.326811 -0.526660
O -3.505078 0.705583 1.422864
N 1.042828 0.605886 0.237486
N -4.400468 -0.297903 -0.511167
C 2.231662 -0.217327 -0.145067
C 0.124001 1.161585 -0.830356
C -0.133175 -0.032070 0.948310
C -1.059716 0.928356 0.143315
C 3.201601 0.690167 -0.973379
C 2.878829 -0.734557 1.178972
C 1.826308 -1.379264 -0.996222
C 3.757292 1.900812 -0.196631
C 4.163649 -1.564002 0.987309
C -3.405948 0.279284 0.243699
C 1.396915 -2.299731 -1.698794
C -5.757668 -0.487542 0.005168
H 0.029390 0.507153 -1.722827
H 0.343477 2.198530 -1.133709
H -0.125766 0.068210 2.044786
H -0.310895 -1.088143 0.651311
H -1.380492 1.810175 0.718889
H 4.027879 0.061241 -1.353161
H 2.651243 1.041624 -1.867834
H 3.074510 0.148624 1.814296
H 2.127165 -1.349459 1.710998
H 2.937209 2.470986 0.272742
H 4.455317 1.591139 0.602112
H 4.309328 2.573507 -0.878266
H 3.982859 -2.431022 0.326596
H 4.979713 -0.963032 0.546588
H 4.520687 -1.947718 1.960239
H 1.051293 -3.113050 -2.310123
H -4.158437 -0.590437 -1.457920
H -5.782088 -0.106958 1.038628
H -6.038901 -1.556939 0.015140
H -6.499075 0.072178 -0.594933


