%chk=000104545.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104545

0 1
 O    1.979700      -1.937800      0.5688000    
 O    3.300800       1.469500      -1.224400    
 O    5.496500       1.882500     -0.8363000    
 O   -3.740800       2.420400     -0.7385000    
 O   -4.428400       1.817300       1.342400    
 O   -4.595900      -2.097300      -1.217600    
 O   -5.226000     -7.0799999E-02 -0.6562000    
 N   0.8663000      7.6300003E-02   1.031700    
 N    5.959700     -0.8337000     -0.9912000    
 N   -4.350300     -0.9634000     -0.7430000    
 C    4.506900     -0.6270000      0.9837000    
 C    3.192800     -0.1203000       1.583500    
 C    4.645600     -0.3798000     -0.5255000    
 C    1.953100     -0.7926000       1.007500    
 C  -0.4522000     -0.1793000      0.5857000    
 C    4.556100       1.098400     -0.8602000    
 C   -1.407800      0.8181000      0.6884000    
 C   -2.707300      0.5657000      0.2489000    
 C  -0.7591000      -1.421600      5.6100000E-02
 C   -3.032800     -0.6801000     -0.2871000    
 C   -2.058700      -1.673800     -0.3835000    
 C   -3.698200       1.629100      0.3666000    
 H    5.328800     -0.1323000       1.518700    
 H    4.604600      -1.701900       1.184200    
 H    3.129300      0.9679000       1.474400    
 H    3.190800     -0.3282000       2.660700    
 H    3.883000     -0.9202000      -1.095700    
 H    1.013000       1.005500       1.419800    
 H    6.694500     -0.3776000     -0.4507000    
 H    6.057900      -1.831300     -0.8042000    
 H   -1.152200       1.788800       1.106600    
 H  -6.4000003E-02  -2.241200     -4.9300000E-02
 H   -2.273100      -2.657200     -0.7944000    
 H    3.252000       2.423200      -1.448500    
 H   -4.409400       3.132900     -0.6518000    


%chk=000104545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104545

0 1
O 1.752127 -2.550172 1.625851
O 2.800329 1.999433 0.428022
O 5.011322 2.395699 -0.154143
O -3.404703 1.537602 -2.081265
O -2.651837 2.972784 -0.410895
O -4.883671 -1.887396 -0.556802
O -5.060952 0.357696 -0.172534
N 1.151471 -0.349555 1.047214
N 4.974003 0.062089 -1.714641
N -4.372627 -0.729605 -0.297648
C 4.409423 -0.791606 0.617325
C 3.444641 -0.788194 1.838524
C 4.045484 0.156245 -0.587124
C 2.048071 -1.325549 1.506605
C -0.197385 -0.513558 0.665073
C 4.048559 1.608893 -0.119598
C -0.868012 0.631696 0.149743
C -2.217977 0.575592 -0.237997
C -0.901425 -1.746790 0.771874
C -2.915812 -0.649888 -0.076893
C -2.256838 -1.800161 0.404612
C -2.797624 1.814536 -0.858370
H 5.427422 -0.528137 0.963613
H 4.460349 -1.817615 0.205604
H 3.383987 0.224150 2.278462
H 3.860992 -1.464019 2.604547
H 3.026509 -0.091149 -0.935608
H 1.546850 0.596875 0.933003
H 5.863723 0.550355 -1.589316
H 5.042836 -0.856047 -2.155037
H -0.329277 1.578728 0.033080
H -0.384532 -2.629147 1.151339
H -2.828174 -2.726773 0.507364
H 2.851192 2.947256 0.730495
H -3.823243 2.363933 -2.444878


