%chk=000128769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128769

0 1
 O    2.070800       2.073400     -0.5547000    
 O   -5.465100       1.231800     -0.5114000    
 O   -4.123200     -0.3795000      -2.441100    
 N    1.666000     -0.1188000      0.2568000    
 N   -4.996700      -1.991100      -1.010400    
 C    2.501100      -1.289800      0.5347000    
 C    3.866600     -0.8194000      0.1723000    
 C    3.822000      0.4973000     -0.2713000    
 C   0.2897000     -7.7900000E-02  0.4453000    
 C    2.429800      0.9572000     -0.2240000    
 C   -2.478400      4.0000002E-03  0.8249000    
 C   -3.955300      4.7899999E-02   1.027900    
 C  -0.3870000      -1.200900      0.9293000    
 C  -0.4258000       1.086500      0.1524000    
 C    5.069200      -1.499100      0.2285000    
 C   -1.768400      -1.160100       1.118600    
 C   -1.807100       1.127300      0.3418000    
 C    4.951100       1.186300     -0.6727000    
 C   -4.360100       1.096400       2.080800    
 C    6.227700     -0.8258000     -0.1718000    
 C    6.168800      0.5064000     -0.6188000    
 C   -4.726400      0.2860000     -0.2737000    
 C   -4.569600     -0.7382000      -1.363300    
 H    2.190700      -2.123800     -0.1024000    
 H    2.441400      -1.541400       1.598100    
 H   -4.305600     -0.9156000       1.420400    
 H   0.1296000      -2.125700       1.169500    
 H  -1.7000000E-03   2.003900     -0.2254000    
 H    5.119300      -2.526300      0.5727000    
 H   -2.276900      -2.043700       1.495000    
 H   -2.345200       2.040800      0.1024000    
 H    4.902700       2.213000      -1.016700    
 H   -3.840600      0.9195000       3.029100    
 H   -5.438200       1.051500       2.272400    
 H   -4.130600       2.117200       1.755600    
 H    7.186300      -1.337000     -0.1376000    
 H    7.082000       1.009600     -0.9249000    
 H   -4.948900      -2.762000      -1.668400    
 H   -5.385700      -2.199800     -9.6699998E-02


%chk=000128769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128769

0 1
O 2.142791 2.222247 -0.564697
O -5.375361 1.334455 -0.515848
O -4.029678 -0.580775 -2.448145
N 1.708651 -0.006989 0.227947
N -5.156748 -2.046639 -1.030072
C 2.507168 -1.227266 0.512948
C 3.922549 -0.813811 0.161470
C 3.915008 0.527371 -0.277999
C 0.300333 0.013642 0.424868
C 2.525530 1.062214 -0.244449
C -2.532804 0.004076 0.840287
C -4.048563 0.018834 1.090365
C -0.356690 -1.137790 0.941262
C -0.481982 1.162779 0.110240
C 5.123434 -1.542421 0.219675
C -1.751190 -1.135443 1.140752
C -1.872734 1.144750 0.314728
C 5.096087 1.185446 -0.672227
C -4.471693 1.054600 2.155283
C 6.318851 -0.890722 -0.175200
C 6.306841 0.458644 -0.616371
C -4.760499 0.272295 -0.255910
C -4.605925 -0.816666 -1.352166
H 2.154113 -2.076247 -0.104700
H 2.412675 -1.516085 1.578330
H -4.328998 -0.998420 1.434560
H 0.207794 -2.040697 1.191872
H 0.010269 2.048497 -0.294817
H 5.145378 -2.584338 0.558181
H -2.233128 -2.035591 1.541771
H -2.453089 2.036067 0.048694
H 5.058710 2.226476 -1.008768
H -3.943436 0.858683 3.104328
H -5.560805 1.017101 2.335393
H -4.228892 2.077504 1.823489
H 7.268303 -1.436410 -0.140193
H 7.245952 0.936394 -0.915458
H -5.123160 -2.791240 -1.728300
H -5.676763 -2.204429 -0.167923


