%chk=000125343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125343

0 1
 O    4.697900      0.1923000       1.231700    
 O    2.898600       2.300600      0.5459000    
 O   0.1466000      0.3221000       1.697200    
 O    4.719400      -2.532100     -0.8867000    
 O    5.883900      -2.426500       1.077800    
 O   -4.871700      -1.516900      -1.634500    
 N    1.660100      0.6168000     -0.4819000    
 N   -1.464600       1.818700      0.9532000    
 N   -4.870600      -1.454100      0.6945000    
 C    4.011400      0.3073000     -2.1500001E-02
 C   0.3862000       1.289600     -0.5150000    
 C  -0.4939000      0.8589000      -1.713100    
 C    4.043700     -0.9850000      0.7415000    
 C    2.805900       1.184900      4.7499999E-02
 C   0.1923000       1.120300      -3.072300    
 C  -0.3056000       1.065900      0.8290000    
 C  -0.9065000     -0.6115000      -1.563100    
 C    4.980000      -2.044500      0.3501000    
 C   0.6205000       2.569200      -3.267200    
 C   -2.289200       1.815000       2.140100    
 C   -3.373100      0.7425000       2.092000    
 C   -4.343600      0.9405000      0.9213000    
 C   -5.421000     -0.1381000      0.8669000    
 C   -4.643200      -2.030800     -0.5458000    
 C   -4.063300      -3.405100     -0.4877000    
 H    4.624500      0.4157000     -0.9079000    
 H   0.5782000       2.368600     -0.5716000    
 H   -1.419300       1.449300      -1.703300    
 H    3.155700      -1.305500       1.272500    
 H    1.713100     -0.3385000     -0.8221000    
 H    1.065400      0.4679000      -3.193000    
 H  -0.5070000      0.8535000      -3.874500    
 H   -1.570700     -0.8982000      -2.386400    
 H   -1.456600     -0.7922000     -0.6346000    
 H  -4.7100000E-02  -1.287900      -1.592400    
 H    1.453900       2.837400      -2.611700    
 H   0.9562000       2.722200      -4.298100    
 H  -0.2109000       3.255300      -3.077400    
 H   -1.743200       2.434700      0.1957000    
 H   -1.650900       1.654700       3.015700    
 H   -2.738000       2.810000       2.227700    
 H   -2.894800     -0.2415000       2.018500    
 H   -3.932400      0.7595000       3.035000    
 H   -4.826000       1.921100       1.010400    
 H   -3.790900      0.9386000     -2.6000001E-02
 H   -6.002300     -0.1452000       1.795000    
 H   -6.108800      7.1999997E-02  4.0500000E-02
 H    5.348700      -3.240100      -1.142000    
 H   -4.631500      -1.976000       1.532500    
 H   -4.551700      -4.038200      -1.234100    
 H   -2.992300      -3.350800     -0.7011000    
 H   -4.205600      -3.863400      0.4949000    


%chk=000125343-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125343

0 1
O 4.286881 0.577760 1.210743
O 2.153014 1.633784 -1.686782
O 0.230938 -0.083592 2.378176
O 6.869921 -1.011799 -0.781370
O 6.962567 1.206568 -0.067204
O -3.474020 0.646637 -1.021436
N 1.700198 0.261182 0.168332
N -1.783241 0.285832 1.272101
N -5.734010 0.910091 -0.452682
C 3.931682 1.188299 -0.117888
C 0.266036 0.072910 -0.083854
C -0.068432 -1.261281 -0.843998
C 4.832908 -0.022845 -0.061217
C 2.504426 1.046995 -0.613606
C 0.407166 -1.237947 -2.321230
C -0.430195 0.095803 1.300036
C 0.487238 -2.494376 -0.095678
C 6.306419 0.166225 -0.276942
C -0.279230 -0.165885 -3.196918
C -2.590631 0.279013 2.507552
C -4.083221 0.459126 2.162846
C -4.380540 1.842010 1.528995
C -5.655595 1.896466 0.659620
C -4.709979 0.415844 -1.233174
C -5.143882 -0.462641 -2.405581
H 4.401728 2.159285 -0.314404
H -0.089123 0.919564 -0.700888
H -1.177117 -1.325529 -0.859639
H 4.430553 -1.009033 -0.313734
H 2.022050 -0.005217 1.112645
H 1.505485 -1.094220 -2.354915
H 0.210768 -2.244553 -2.744844
H 0.162085 -3.425149 -0.595681
H 0.148406 -2.530598 0.955367
H 1.593383 -2.484136 -0.091231
H 0.077865 0.844442 -2.933022
H -0.045489 -0.326957 -4.265628
H -1.379334 -0.194595 -3.074791
H -2.274592 0.442697 0.375090
H -2.424110 -0.671725 3.049223
H -2.241011 1.086623 3.181462
H -4.385621 -0.347963 1.468466
H -4.680487 0.324780 3.084721
H -4.508201 2.599353 2.327638
H -3.523101 2.169202 0.919864
H -6.545129 1.713997 1.293451
H -5.754546 2.918665 0.239890
H 7.841880 -0.872019 -0.946484
H -6.679715 0.646990 -0.736965
H -4.846467 0.030613 -3.347554
H -4.602132 -1.422093 -2.356405
H -6.228546 -0.663598 -2.438373


