%chk=000077405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077405

0 1
 O    2.915200      -1.529300       1.238800    
 O    5.248000      -1.828700      -1.464700    
 O    4.230400       2.336600       1.285500    
 O    7.111500      -2.148900     -0.2108000    
 O    4.326700       3.564700     -0.6198000    
 N    4.210500      1.0400000E-02  8.5100003E-02
 C   -3.375100      4.8099998E-02 -0.3103000    
 C   -4.692100     -0.5106000      0.2380000    
 C   -2.137500     -0.5714000      0.3437000    
 C   -5.930300      0.1600000     -0.3615000    
 C  -0.8210000      2.8899999E-02 -0.1611000    
 C   -7.214500     -0.3814000      0.2708000    
 C   0.4552000     -0.5666000      0.4412000    
 C   -8.454700      0.2642000     -0.3495000    
 C    1.734900      0.1129000     -5.0400000E-02
 C   -9.738500     -0.3007000      0.2579000    
 C    2.995000     -0.5527000      0.4890000    
 C   -10.97400      0.3145000     -0.3799000    
 C    5.501500     -0.5165000      0.5220000    
 C    4.280400       1.164900     -0.8021000    
 C    6.046600      -1.574600     -0.4022000    
 C    4.281800       2.476300     -5.9500001E-02
 H   -3.335200     -0.1176000      -1.393800    
 H   -3.355200       1.133900     -0.1548000    
 H   -4.706100     -0.3812000       1.327500    
 H   -4.732800      -1.590000      4.6599999E-02
 H   -2.195300     -0.4366000       1.430700    
 H   -2.134300      -1.652400      0.1582000    
 H   -5.873800       1.243800     -0.2043000    
 H   -5.947800     -9.8999999E-03  -1.444600    
 H  -0.7785000     -8.3400004E-02  -1.252000    
 H  -0.8316000       1.108200      3.7999999E-02
 H   -7.202300     -0.1921000       1.351100    
 H   -7.259500      -1.468700      0.1333000    
 H   0.4047000     -0.4933000       1.534900    
 H   0.4906000      -1.637400      0.2038000    
 H   -8.420800       1.349800     -0.1963000    
 H   -8.455000      9.0700001E-02  -1.432700    
 H    1.724400       1.166100      0.2475000    
 H    1.748400      4.7400001E-02  -1.143600    
 H   -9.755600     -0.1087000       1.337000    
 H   -9.768800      -1.388000      0.1211000    
 H   -11.00370      0.1104000      -1.454900    
 H   -11.88030     -0.1025000      7.0100002E-02
 H   -10.99090       1.399500     -0.2352000    
 H    5.368700     -0.9819000       1.504400    
 H    6.223300      0.3019000      0.6053000    
 H    3.445100       1.175800      -1.503900    
 H    5.204300       1.103100      -1.388200    
 H    5.624800      -2.519200      -2.050800    
 H    4.232600       3.203100       1.745100    


%chk=000077405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077405

0 1
O 2.893205 -1.615742 1.224743
O 5.858245 -1.530009 -1.597242
O 4.745207 2.324756 1.204768
O 7.489768 -1.826623 0.030057
O 4.384960 3.506382 -0.764886
N 4.206413 -0.105425 0.049910
C -3.434627 0.134495 -0.256641
C -4.747152 -0.444686 0.317625
C -2.166752 -0.498899 0.358817
C -6.016984 0.185726 -0.297402
C -0.852936 0.081093 -0.211615
C -7.328825 -0.393845 0.278430
C 0.405573 -0.565731 0.406868
C -8.599811 0.235416 -0.335539
C 1.708310 0.029303 -0.163346
C -9.911102 -0.345312 0.241660
C 2.959033 -0.631955 0.426920
C -11.176055 0.288739 -0.376580
C 5.406196 -0.688009 0.654579
C 4.364170 1.042305 -0.837721
C 6.363452 -1.397307 -0.295440
C 4.481680 2.416222 -0.164505
H -3.420822 -0.011976 -1.357210
H -3.415078 1.232019 -0.089410
H -4.761481 -0.297422 1.417964
H -4.766166 -1.542289 0.151774
H -2.182141 -0.355039 1.459327
H -2.185515 -1.595714 0.189797
H -5.998241 1.283493 -0.131948
H -6.003473 0.037828 -1.397746
H -0.841278 -0.059991 -1.313369
H -0.834031 1.178058 -0.038346
H -7.342219 -0.246006 1.378799
H -7.347445 -1.491642 0.113139
H 0.397282 -0.436488 1.505761
H 0.398225 -1.657571 0.231912
H -8.583123 1.333288 -0.170330
H -8.588493 0.087499 -1.435945
H 1.735584 1.121725 0.027312
H 1.716251 -0.092406 -1.267177
H -9.921191 -0.197496 1.341012
H -9.926716 -1.442062 0.076130
H -11.204903 0.128260 -1.471052
H -12.098837 -0.143371 0.052713
H -11.199200 1.380587 -0.198268
H 5.055142 -1.436477 1.392077
H 5.982981 0.074556 1.209687
H 3.530937 1.109669 -1.554340
H 5.270027 0.905405 -1.458567
H 6.516637 -2.036316 -2.147231
H 4.824720 3.239885 1.589776


