%chk=000004597.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004597

0 1
 O    1.470300      -1.219800      0.7334000    
 O  -0.2066000      0.1542000     -0.2209000    
 O    2.040200       1.616500      -1.308200    
 O    4.286500     -3.8000001E-03  -1.286700    
 O    2.233800       1.159500       2.296800    
 O   -3.663800       2.316300     -0.2898000    
 O   -1.465900       2.267300     -0.3579000    
 N   -2.576600       1.693300     -0.2730000    
 C    2.650800       1.295300     -5.9300002E-02
 C    3.384800     -4.3600000E-02 -0.1871000    
 C    1.579300       1.212300       1.030700    
 C    2.388400      -1.194000     -0.3636000    
 C   0.6893000     -2.8700000E-02  0.8713000    
 C    3.091400      -2.547800     -0.3991000    
 C   -1.425200     -0.4630000     -0.1271000    
 C   -2.604200      0.2766000     -0.1513000    
 C   -1.465500      -1.849400     -7.1999999E-03
 C   -3.833500     -0.3754000     -5.5100001E-02
 C   -2.694900      -2.501400      8.9000002E-02
 C   -3.878800      -1.764400      6.5200001E-02
 H    3.370900       2.090800      0.1657000    
 H    3.973100     -0.2128000      0.7237000    
 H   0.9635000       2.118500       1.003100    
 H    1.832700      -1.088300      -1.303900    
 H   0.1138000     -0.1495000       1.799200    
 H    3.784400      -2.622300      -1.242400    
 H    3.645700      -2.725800      0.5291000    
 H    2.355500      -3.355000     -0.4838000    
 H    2.741900       1.627300      -1.981200    
 H    4.900000      0.7354000      -1.135700    
 H    1.545400       1.159000       2.983500    
 H  -0.5616000      -2.449500     -9.1000004E-03
 H   -4.777800      0.1628000     -7.0100002E-02
 H   -2.730600      -3.583300      0.1771000    
 H   -4.835700      -2.272700      0.1388000    


%chk=000004597-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004597

0 1
O 1.446969 -1.083554 0.761432
O -0.272777 0.038644 -0.506372
O 2.504597 1.369491 -1.720799
O 4.629564 -0.209403 -0.970102
O 1.829655 1.976797 1.794216
O -3.630836 2.145995 1.010133
O -1.379733 1.943660 1.243073
N -2.535256 1.472603 0.893076
C 2.807561 1.285932 -0.289076
C 3.518355 -0.055857 0.000295
C 1.478307 1.439882 0.472237
C 2.557659 -1.234907 -0.229351
C 0.683587 0.120845 0.662986
C 3.174191 -2.603600 0.029585
C -1.514775 -0.552929 -0.286754
C -2.621271 0.104646 0.344473
C -1.736959 -1.841120 -0.834282
C -3.890553 -0.521886 0.422649
C -2.994066 -2.468228 -0.741646
C -4.076188 -1.809886 -0.105272
H 3.460381 2.128968 0.021194
H 3.884227 -0.078544 1.045708
H 0.839131 2.140365 -0.092394
H 2.132229 -1.163231 -1.249643
H 0.095422 0.158448 1.592307
H 4.030011 -2.759848 -0.647815
H 3.526570 -2.679725 1.073809
H 2.429423 -3.399642 -0.141909
H 3.304251 1.005849 -2.190545
H 5.423454 0.281605 -0.640483
H 1.007083 2.346774 2.204855
H -0.892782 -2.325215 -1.333362
H -4.710400 0.026050 0.895193
H -3.132019 -3.469479 -1.163235
H -5.054014 -2.294899 -0.030080


