%chk=000128639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128639

0 1
 O    4.256500      0.5355000      0.9983000    
 O    4.611100      -2.037800     -0.8848000    
 O    6.131100     -7.1800001E-02  -2.006000    
 O    6.406100       2.205000       1.751900    
 O   -8.003200      0.8980000     -0.2970000    
 N    2.044100      0.2602000      0.1834000    
 N   0.5211000       1.865100     -0.1045000    
 N   0.5799000      -1.666200      0.4014000    
 N   -1.767200      -1.023000      0.2180000    
 N   -2.455200       1.242000     -0.1326000    
 C    4.000300     -0.7546000      -1.009100    
 C    3.357200     -0.3712000      0.3248000    
 C    5.040500      0.3321000      -1.206400    
 C    5.460300      0.6397000      0.2206000    
 C    6.063100       2.022800      0.3894000    
 C   0.8263000     -0.3595000      0.2243000    
 C    1.806900       1.595600     -1.5500000E-02
 C  -0.1034000      0.6521000      4.3600000E-02
 C   -1.444500      0.2813000      4.4000000E-02
 C  -0.7500000      -1.902700      0.3834000    
 C   -1.155200      -3.327500      0.5716000    
 C   -1.902000      -3.891800     -0.6508000    
 C   -1.999000      -3.534900       1.842800    
 C   -3.863600       1.155100     -0.1745000    
 C   -4.640700       2.230800      0.2527000    
 C   -4.475500     -7.1000000E-03 -0.6424000    
 C   -6.032300       2.144300      0.2122000    
 C   -5.867100     -9.3699999E-02 -0.6830000    
 C   -6.645500      0.9821000     -0.2558000    
 H    3.298900     -0.8119000      -1.847800    
 H    3.220900      -1.236100      0.9842000    
 H    4.564000       1.206800      -1.666000    
 H    6.163300     -0.1120000      0.6023000    
 H    5.351100       2.808700      0.1171000    
 H    6.968300       2.142000     -0.2127000    
 H    3.901200      -2.682100     -0.7209000    
 H    6.761600      0.6671000      -2.042100    
 H    2.602000       2.324700     -9.2100002E-02
 H    5.594500       2.094800       2.276300    
 H  -0.2448000      -3.930100      0.6932000    
 H   -2.109400       2.197800     -0.1204000    
 H   -2.853500      -3.374100     -0.8152000    
 H   -2.115900      -4.957400     -0.5156000    
 H   -1.299500      -3.779900      -1.559000    
 H   -1.464700      -3.169300       2.726700    
 H   -2.216400      -4.597600       1.994100    
 H   -2.953000      -2.999200       1.783800    
 H   -4.175000       3.141500      0.6205000    
 H   -3.904700     -0.8515000      -1.014700    
 H   -6.633300       2.985500      0.5464000    
 H   -6.332900      -1.001700      -1.056700    
 H   -8.254500      2.6000001E-02 -0.6469000    


%chk=000128639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128639

0 1
O 4.118903 1.043101 0.117153
O 5.164569 -0.830926 2.485818
O 5.345124 -2.348292 0.324801
O 4.637277 1.079342 -2.696910
O -7.949995 0.827301 -0.212559
N 2.152084 0.990576 1.511673
N 0.259501 2.189967 2.024970
N 1.103220 -0.786478 0.092985
N -1.323948 -0.482771 -0.098550
N -2.449057 1.349088 1.008226
C 3.946419 -0.801692 1.685325
C 3.586344 0.683443 1.441739
C 4.235376 -1.379022 0.261732
C 4.699444 -0.158542 -0.557796
C 4.208556 -0.138288 -2.007594
C 1.085586 0.336153 0.872898
C 1.591095 2.098522 2.175917
C -0.063502 1.090894 1.209392
C -1.315104 0.637343 0.689705
C -0.143517 -1.136719 -0.361032
C -0.235881 -2.365597 -1.256010
C -0.728684 -1.971391 -2.672892
C -1.152564 -3.444676 -0.624816
C -3.810748 1.148822 0.654439
C -4.758773 2.073922 1.174979
C -4.260945 0.090639 -0.177394
C -6.126076 1.950954 0.876509
C -5.634144 -0.030501 -0.475760
C -6.568102 0.894205 0.047462
H 3.132855 -1.342938 2.203124
H 4.088194 1.303233 2.204888
H 3.312959 -1.820897 -0.152964
H 5.801686 -0.072435 -0.517518
H 3.102907 -0.242905 -2.018065
H 4.663911 -0.971949 -2.569319
H 5.761777 -1.508697 2.055508
H 4.988519 -3.270424 0.343296
H 2.205765 2.790982 2.747422
H 4.325132 1.850247 -2.156049
H 0.791681 -2.767768 -1.335235
H -2.256159 2.159530 1.607147
H -1.736767 -1.523917 -2.616994
H -0.775283 -2.863219 -3.324396
H -0.052012 -1.235404 -3.143934
H -0.780170 -3.761199 0.366481
H -1.199561 -4.335830 -1.277233
H -2.175412 -3.049513 -0.495253
H -4.423452 2.896548 1.819240
H -3.530012 -0.615780 -0.573729
H -6.859311 2.658474 1.273497
H -5.971398 -0.852671 -1.120722
H -8.160005 0.059053 -0.799104


