%chk=000101430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101430

0 1
 O    3.730000      0.3872000       1.011100    
 O    4.182100      -2.326100     -0.6405000    
 O    5.613600     -0.4066000      -1.943800    
 O    5.812000       2.203600       1.595700    
 N    1.527000     -4.9699999E-02  0.2425000    
 N  -6.2600002E-02   1.459500     -0.1737000    
 N   0.1452000      -2.007700      0.6413000    
 N   -3.010200      0.7147000     -0.1246000    
 N   -2.227400      -1.480100      0.4205000    
 C    3.517900      -1.085000     -0.8724000    
 C    2.866000     -0.6116000      0.4280000    
 C    4.511000      2.1500001E-02  -1.173600    
 C    4.924600      0.4713000      0.2168000    
 C    5.470200       1.887500      0.2576000    
 C   0.3362000     -0.7127000      0.3477000    
 C    1.233600       1.252100     -7.1599998E-02
 C  -0.6356000      0.2399000      8.5900001E-02
 C   -1.959900     -0.1842000      0.1296000    
 C   -1.173700      -2.299200      0.6549000    
 C   -4.413900      0.5671000     -0.1479000    
 C   -5.184400       1.370000     -0.9881000    
 C   -5.028300     -0.3817000      0.6684000    
 C   -6.571200       1.223600      -1.012100    
 C   -6.415300     -0.5280000      0.6443000    
 C   -7.186900      0.2746000     -0.1960000    
 H    2.815500      -1.245100      -1.696700    
 H    2.768900      -1.419600       1.162400    
 H    3.996300      0.8319000      -1.704700    
 H    5.660300     -0.2142000      0.6574000    
 H    4.724700       2.616300     -7.6800004E-02
 H    6.366600       1.989900     -0.3604000    
 H    3.500400      -2.981900     -0.4143000    
 H    6.212500      0.3515000      -2.050500    
 H    1.997300       2.003600     -0.2188000    
 H    5.008300       2.107000       2.134800    
 H   -1.425000      -3.329200      0.8846000    
 H   -2.693300       1.620200     -0.4607000    
 H   -4.716800       2.112400      -1.629700    
 H   -4.466100      -1.001000       1.359800    
 H   -7.172100       1.848700      -1.666200    
 H   -6.895700      -1.261400       1.285400    
 H   -8.266900      0.1620000     -0.2134000    


%chk=000101430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101430

0 1
O 3.740112 1.082781 0.404034
O 4.786159 -1.580098 1.814952
O 5.231882 -1.994049 -0.764049
O 4.486259 2.377126 -2.044805
N 1.690946 0.326886 1.423438
N -0.330202 1.120357 2.180557
N 0.902521 -0.759588 -0.692657
N -2.877285 0.661580 0.637956
N -1.530551 -0.516579 -0.991622
C 3.624162 -1.268900 0.991842
C 3.150683 0.152757 1.379558
C 4.054521 -1.146039 -0.505416
C 4.473630 0.329366 -0.660218
C 4.096902 0.967475 -1.999314
C 0.734602 -0.057215 0.470066
C 0.989726 1.036378 2.416436
C -0.499197 0.438495 0.962575
C -1.669428 0.186911 0.181483
C -0.281045 -0.939768 -1.352088
C -4.186377 0.576655 0.091087
C -5.231457 1.191301 0.835332
C -4.485367 -0.077214 -1.134449
C -6.557487 1.154210 0.361779
C -5.819662 -0.104500 -1.593577
C -6.861839 0.505103 -0.858076
H 2.830980 -2.024582 1.142744
H 3.536236 0.399861 2.383844
H 3.200199 -1.397253 -1.157187
H 5.557888 0.437558 -0.469031
H 3.006488 0.841801 -2.168697
H 4.655324 0.480275 -2.816955
H 5.465066 -1.977159 1.196819
H 4.952344 -2.842966 -1.187037
H 1.499085 1.461999 3.278654
H 4.070999 2.825126 -1.263223
H -0.226576 -1.493952 -2.293957
H -2.797294 1.166067 1.528153
H -5.003214 1.697397 1.782505
H -3.676643 -0.545220 -1.697783
H -7.351991 1.632256 0.945150
H -6.043641 -0.609788 -2.539873
H -7.892557 0.476251 -1.226749


