%chk=000115747.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115747

0 1
 O    3.211300     -0.6020000       1.072100    
 O    3.531400       1.151300      -1.934400    
 O    3.501000      -2.770300      0.4085000    
 N    3.581200      -1.005600      -1.080100    
 C    3.200900      0.6892000      0.4336000    
 C    1.831800       1.326200      0.6185000    
 C   0.7123000      0.3721000      0.1999000    
 C  -0.6884000      0.9735000      0.3555000    
 C   -1.810000     -8.3999997E-03  7.1000000E-03
 C   -3.211400      0.5733000      0.2199000    
 C   -4.334500     -0.3974000     -0.1520000    
 C    4.324700       1.538400       1.007400    
 C    3.455800      0.3512000      -1.014900    
 C   -5.709900      0.2368000      6.7000002E-02
 C   -6.833900     -0.7436000     -0.2674000    
 C    3.439700      -1.578300      0.1426000    
 C   -8.202000     -0.1065000     -8.3300002E-02
 H    1.684600       1.581200       1.675700    
 H    1.760100       2.258000      4.4399999E-02
 H   0.8353000      7.2600000E-02 -0.8474000    
 H   0.7528000     -0.5426000      0.8031000    
 H  -0.8189000       1.311700       1.391000    
 H  -0.7733000       1.862500     -0.2813000    
 H   -1.702500     -0.3196000      -1.039200    
 H   -1.702700     -0.9123000      0.6192000    
 H   -3.312300       1.487700     -0.3780000    
 H   -3.320400      0.8686000       1.270800    
 H   -4.229000     -0.6964000      -1.201800    
 H   -4.245500      -1.306900      0.4544000    
 H    5.297400       1.055200      0.8577000    
 H    4.363400       2.526000      0.5362000    
 H    4.202600       1.669100       2.088200    
 H   -5.805200      0.5601000       1.110800    
 H   -5.803600       1.132900     -0.5586000    
 H    3.758200      -1.520700      -1.934800    
 H   -6.758800      -1.629100      0.3744000    
 H   -6.734200      -1.084900      -1.304400    
 H   -8.990700     -0.8253000     -0.3268000    
 H   -8.321200      0.7632000     -0.7374000    
 H   -8.346800      0.2192000      0.9518000    


%chk=000115747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115747

0 1
O 3.440942 -0.595590 1.136469
O 3.471011 1.082903 -2.077706
O 3.927715 -2.809515 0.527367
N 3.768501 -1.047229 -1.069738
C 3.272924 0.719759 0.398083
C 1.841207 1.245352 0.638195
C 0.709669 0.290040 0.201915
C -0.689115 0.882639 0.485507
C -1.841119 -0.054290 0.058402
C -3.240622 0.555273 0.298466
C -4.396557 -0.379627 -0.123787
C 4.359540 1.684196 0.895695
C 3.505264 0.328215 -1.080838
C -5.794411 0.247724 0.078468
C -6.952130 -0.686586 -0.341845
C 3.734296 -1.624511 0.226700
C -8.343573 -0.043571 -0.155190
H 1.744661 1.472834 1.717422
H 1.754069 2.203899 0.089866
H 0.792818 0.076951 -0.883546
H 0.814900 -0.675558 0.733769
H -0.781565 1.106853 1.568747
H -0.791499 1.852791 -0.044404
H -1.731483 -0.302430 -1.018089
H -1.757840 -1.014243 0.609118
H -3.322505 1.511847 -0.259210
H -3.350953 0.811810 1.372977
H -4.271794 -0.656526 -1.191756
H -4.332327 -1.326576 0.452008
H 5.366728 1.250945 0.771592
H 4.308976 2.625073 0.321198
H 4.202720 1.904586 1.964864
H -5.921355 0.529107 1.145001
H -5.859351 1.192308 -0.501473
H 3.969178 -1.604302 -1.901315
H -6.894685 -1.625235 0.246375
H -6.817568 -0.977112 -1.403962
H -9.153260 -0.731709 -0.460714
H -8.437254 0.878528 -0.759573
H -8.514854 0.231078 0.902942


