%chk=000119484.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119484

0 1
 O    3.653300       1.218900       1.330700    
 O    1.602800      -3.611400     -0.8465000    
 O   -2.170600       3.406200       1.002900    
 O   -4.873100      -1.520600      0.8378000    
 O    5.750400       1.507300     -0.3172000    
 O    1.827400      -2.998800       1.329900    
 O   -2.445000       2.913500      -1.198100    
 O   -4.286900      -1.328300      -1.348900    
 N    1.551800     -0.3462000      0.1091000    
 N   -2.136000      0.2167000     -9.6600004E-02
 C   0.1636000     -0.5993000     -0.2883000    
 C  -0.7569000      0.4584000      0.3132000    
 C    1.999100      0.9486000     -0.3738000    
 C    2.420700      -1.416600     -0.3891000    
 C   -3.022300       1.247700      0.4456000    
 C   -2.576400      -1.110600      0.3355000    
 C    3.408100       1.161800      0.1256000    
 C    1.915300      -2.731000      0.1382000    
 C   -2.537200       2.592700     -2.0000000E-02
 C   -3.976000      -1.339400     -0.1646000    
 C    4.488100       1.330500     -0.9253000    
 H   6.1299998E-02 -0.6264000      -1.381500    
 H  -0.1249000      -1.573800      0.1035000    
 H  -0.6602000      0.4712000       1.407500    
 H  -0.4610000       1.437700     -6.1200000E-02
 H    1.972500       1.021100      -1.467500    
 H    1.447700       1.799900      3.4899998E-02
 H    2.441800      -1.442400      -1.486000    
 H    3.455000      -1.334500     -3.7900001E-02
 H   -4.054100       1.161400      8.7200001E-02
 H   -3.050400       1.224800       1.542400    
 H   -2.014200      -1.936700     -0.1089000    
 H   -2.540800      -1.224800       1.425800    
 H    4.258800       2.213900      -1.527800    
 H    4.521500      0.4395000      -1.557700    
 H    1.290900      -4.468500     -0.4853000    
 H   -1.837700       4.271000      0.6810000    
 H   -5.783300      -1.648600      0.4953000    
 H    6.399700       1.624200      -1.031600    


%chk=000119484-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119484

0 1
O 4.255513 0.189839 0.203200
O 2.676081 -4.208114 0.210429
O -2.303671 3.895107 0.019411
O -4.986380 -2.004393 0.223008
O 5.194928 2.663756 -0.293510
O 1.072787 -2.971372 1.346676
O -0.722037 2.488282 -0.925681
O -4.680893 0.029361 -0.857375
N 1.547764 -0.745096 -0.436912
N -2.029281 0.222751 0.366605
C 0.070154 -0.785007 -0.568114
C -0.608422 -0.105107 0.647142
C 2.149767 0.434637 -1.064148
C 2.273286 -2.001418 -0.618289
C -2.460557 1.593439 0.638450
C -2.977670 -0.817420 0.762446
C 3.460752 0.917763 -0.455413
C 1.912020 -3.049997 0.425578
C -1.718538 2.639348 -0.185093
C -4.262497 -0.836866 -0.061995
C 3.835616 2.383470 -0.698365
H -0.276322 -0.261320 -1.483230
H -0.261354 -1.836541 -0.643799
H -0.490446 -0.757770 1.536839
H -0.060858 0.827682 0.862219
H 2.361788 0.290342 -2.160748
H 1.417886 1.264496 -1.026188
H 2.126235 -2.477938 -1.620970
H 3.355829 -1.811181 -0.509793
H -3.529454 1.698159 0.381318
H -2.355692 1.903657 1.710375
H -2.499013 -1.805411 0.646991
H -3.291844 -0.764812 1.837122
H 3.115429 3.011044 -0.126114
H 3.708749 2.633364 -1.770608
H 2.444517 -4.886161 0.901362
H -1.813572 4.580833 -0.510229
H -5.839080 -1.999237 -0.290998
H 5.511280 1.866932 0.220699


