%chk=000048991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048991

0 1
 O   -2.343400     -0.5261000      2.8100001E-02
 O   -3.802600      -2.241900     -0.4475000    
 N    2.486700     -0.7695000      0.3611000    
 C    5.154200      0.2816000     -0.2511000    
 C    4.930800     -0.8748000      0.7293000    
 C    3.891800       1.147000     -0.3271000    
 C    6.367500       1.115400      0.1511000    
 C    3.658900      -1.654500      0.3894000    
 C    2.654000      0.3005000     -0.6315000    
 C    1.272200      -1.537100      8.6199999E-02
 C    6.595400       2.249300     -0.8465000    
 C    7.612200      0.2368000      0.2579000    
 C   4.4700000E-02 -0.6362000      0.1763000    
 C   -1.238800      -1.413000     -8.3899997E-02
 C   -3.573600      -1.072900     -0.1785000    
 C   -4.637200     -4.6799999E-02 -3.4899998E-02
 C   -5.797900     -0.1824000     -0.7686000    
 C   -4.432000       1.010100      0.8281000    
 C   -6.797300      0.7813000     -0.6336000    
 C   -5.431500       1.973800      0.9632000    
 C   -6.614100       1.859300      0.2322000    
 H    5.329600     -0.1497000      -1.247200    
 H    5.764800      -1.584000      0.7005000    
 H    4.862800     -0.4938000       1.756700    
 H    3.744200       1.685600      0.6182000    
 H    3.978200       1.899400      -1.118300    
 H    6.197100       1.569100       1.136500    
 H    3.786200      -2.166100     -0.5738000    
 H    3.520800      -2.429200       1.153500    
 H    1.823200       1.010000     -0.6183000    
 H    2.725300     -0.1104000      -1.647100    
 H    1.168700      -2.337900      0.8292000    
 H    1.319000      -2.014100     -0.9015000    
 H    5.812600       3.011100     -0.7859000    
 H    7.541100       2.762300     -0.6379000    
 H    6.640800       1.876700      -1.875500    
 H    7.564300     -0.4381000       1.117800    
 H    8.507600      0.8524000      0.4007000    
 H    7.762500     -0.3604000     -0.6480000    
 H   5.5300001E-02  0.1723000     -0.5609000    
 H  -1.2500000E-02 -0.1545000       1.160900    
 H   -1.218800      -1.846400      -1.090900    
 H   -1.344400      -2.219400      0.6514000    
 H   -5.950800      -1.015400      -1.448300    
 H   -3.526500       1.115000       1.418300    
 H   -7.717800      0.6927000      -1.203000    
 H   -5.290600       2.811700       1.639700    
 H   -7.392400       2.609300      0.3379000    


%chk=000048991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048991

0 1
O -2.448427 -0.449676 -0.048692
O -3.868405 -2.212718 -0.602150
N 2.493554 -0.675146 0.103634
C 5.313508 0.271294 -0.202010
C 4.902027 -0.882997 0.747446
C 4.081068 1.190691 -0.403238
C 6.563196 1.053935 0.312700
C 3.636586 -1.611885 0.254358
C 2.835092 0.404651 -0.856085
C 1.243838 -1.389195 -0.252747
C 6.962777 2.206205 -0.643153
C 7.784264 0.125156 0.531508
C -0.023610 -0.537825 -0.017749
C -1.288116 -1.359580 -0.269192
C -3.711269 -1.016227 -0.249698
C -4.812715 -0.042065 0.004707
C -6.148984 -0.489767 -0.163391
C -4.559179 1.295539 0.405928
C -7.223418 0.393162 0.068066
C -5.637892 2.175477 0.636119
C -6.969978 1.727282 0.468214
H 5.579268 -0.172163 -1.189588
H 5.716575 -1.624943 0.840991
H 4.705493 -0.469263 1.757032
H 3.852387 1.702910 0.553067
H 4.291178 1.970333 -1.158877
H 6.291447 1.500434 1.294619
H 3.868593 -2.125686 -0.718147
H 3.348993 -2.396721 0.979503
H 1.977723 1.096027 -0.940352
H 3.021309 -0.020709 -1.880272
H 1.186573 -2.292975 0.386119
H 1.262230 -1.748660 -1.316674
H 6.174454 2.974224 -0.730177
H 7.878255 2.710237 -0.281351
H 7.173373 1.815814 -1.658305
H 7.599639 -0.638465 1.307346
H 8.666516 0.712052 0.848209
H 8.049839 -0.399443 -0.407529
H -0.037421 0.344102 -0.684255
H -0.014253 -0.166308 1.022674
H -1.340211 -1.750895 -1.302753
H -1.379230 -2.215895 0.425161
H -6.319003 -1.526371 -0.472908
H -3.525091 1.627409 0.533295
H -8.254058 0.045664 -0.061542
H -5.442749 3.207878 0.946094
H -7.805445 2.413205 0.648445


