%chk=000128505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128505

0 1
 O  -0.3972000      -1.007400      8.7600000E-02
 O   -1.455200       1.048100      0.6057000    
 O    1.312500      0.5656000      0.3076000    
 O   -2.235200      -2.361100       1.662000    
 O    1.548900      -2.994900     -0.4849000    
 O   -4.181800      0.4062000      -1.786800    
 O    4.955900      0.3871000      2.2200000E-02
 O   -1.018700       3.176800      -1.042700    
 O    1.962600       2.877300       1.633700    
 N   -4.716400      -1.577500      0.2610000    
 N    4.086000      -1.928600      -1.584900    
 C   -3.390700      -1.006500     -4.4999998E-03
 C    3.327600      -1.342900     -0.4736000    
 C   -2.522800      -1.026200       1.260700    
 C    1.828200      -1.608200     -0.6694000    
 C   -1.200600     -0.2929000       1.025100    
 C   0.9948000     -0.8235000      0.3482000    
 C   -3.546500      0.4370000     -0.5110000    
 C    3.608200      0.1648000     -0.3833000    
 C   -2.179300       1.130000     -0.6269000    
 C    2.676500      0.8247000      0.6414000    
 C   -2.314800       2.612500     -0.9651000    
 C    2.858100       2.339500      0.6781000    
 H   -2.937400      -1.628800     -0.7864000    
 H    3.673600      -1.845000      0.4388000    
 H   -3.061400     -0.5338000       2.080400    
 H    1.517600      -1.334700      -1.686200    
 H  -0.6825000     -0.2440000       1.991600    
 H    1.195600      -1.217300       1.354800    
 H   -4.186800      0.9983000      0.1829000    
 H    3.463700      0.6309000      -1.366400    
 H   -1.577600      0.6635000      -1.418200    
 H    2.866600      0.4374000       1.651900    
 H   -2.863600       3.142700     -0.1796000    
 H   -2.817200       2.765300      -1.924400    
 H    2.615600       2.784400     -0.2928000    
 H    3.878800       2.616100      0.9585000    
 H   -5.188400      -1.031800      0.9814000    
 H   -4.608300      -2.515100      0.6467000    
 H    5.074600      -1.704400      -1.475000    
 H    3.797300      -1.499400      -2.463500    
 H   -1.742100      -2.787900      0.9405000    
 H   0.5906000      -3.116800     -0.5978000    
 H   -4.452800       1.313400      -2.005700    
 H    5.080500     -2.9500000E-02  0.8920000    
 H   -1.128000       4.120100      -1.251900    
 H    2.090000       3.841300       1.636100    


%chk=000128505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128505

0 1
O -0.292554 0.367452 -0.219919
O -2.181640 1.673220 0.402328
O 1.866019 1.187351 0.252964
O -1.264275 -1.839172 1.373172
O 0.709976 -2.264676 -0.651069
O -4.547397 -0.216837 -1.873892
O 5.210917 -0.579437 0.467033
O -2.780233 3.821920 -1.271053
O 3.659599 2.812975 2.156610
N -3.891114 -2.180155 0.118061
N 3.595972 -2.399195 -1.153596
C -3.012107 -1.057701 -0.222473
C 2.991447 -1.471140 -0.194525
C -2.139150 -0.723559 1.010312
C 1.586110 -1.062384 -0.663932
C -1.337858 0.589140 0.815483
C 0.997152 0.000269 0.278750
C -3.857165 0.165296 -0.624183
C 3.883746 -0.210993 -0.063774
C -2.956881 1.396217 -0.851007
C 3.203642 0.873185 0.811333
C -3.708082 2.705338 -1.105605
C 3.986932 2.179012 0.869534
H -2.324933 -1.260517 -1.084658
H 2.877564 -1.900852 0.838325
H -2.805435 -0.596843 1.882408
H 1.645210 -0.640960 -1.685226
H -0.861312 0.916518 1.755894
H 0.933513 -0.387234 1.321641
H -4.589615 0.370968 0.185534
H 4.103044 0.182269 -1.071468
H -2.237826 1.202140 -1.669427
H 3.091937 0.487809 1.852871
H -4.414126 2.891675 -0.266068
H -4.272355 2.644477 -2.051886
H 3.683567 2.810061 0.009956
H 5.071492 1.957446 0.807821
H -4.483641 -2.479413 -0.660869
H -3.399336 -2.946802 0.587772
H 4.603811 -2.520962 -1.009638
H 3.088780 -3.285097 -1.234742
H -0.617607 -2.040608 0.626193
H 0.215003 -2.304557 -1.505612
H -5.355899 0.341383 -1.989392
H 5.102920 -0.899515 1.401025
H -2.118068 3.755608 -0.533430
H 3.938759 3.761676 2.140322


