%chk=000023056.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023056

0 1
 O  -0.7763000      0.5761000      9.0200000E-02
 O  -0.4396000      0.7224000       2.360500    
 O    1.988400     -0.1693000       2.231100    
 N   -4.130500     -0.3664000      0.5511000    
 C   -2.819800       1.148200      -1.104400    
 C   -2.102900       1.063700      0.2554000    
 C   -4.227000       1.705700     -0.8470000    
 C   -2.981800     -0.2754000      -1.665600    
 C   -2.882600      0.1172000       1.185800    
 C   -4.954800      0.7984000      0.1593000    
 C   -3.775800      -1.130300     -0.6647000    
 C  -3.5000000E-02  0.4483000       1.235700    
 C    1.377600     -5.4800000E-02  0.9347000    
 C    1.347200      -1.437100      0.2770000    
 C    2.224300      0.9841000      0.1848000    
 C   0.8544000      -1.546000      -1.002600    
 C    3.307200      0.5458000     -0.5372000    
 C    1.814300      -2.516000      0.9912000    
 C    1.861500       2.306000      0.2684000    
 C   0.8268000      -2.805200      -1.602000    
 C    4.076200       1.489200      -1.218600    
 C    1.786800      -3.775200      0.3917000    
 C    2.630500       3.249300     -0.4132000    
 C    1.293000      -3.919700     -0.9049000    
 C    3.737900       2.840800      -1.156600    
 H   -2.259800       1.769800      -1.810700    
 H   -2.051000       2.070800      0.6907000    
 H   -4.791400       1.752700      -1.785900    
 H   -4.163900       2.726900     -0.4531000    
 H   -2.004100     -0.7294000      -1.856400    
 H   -3.511300     -0.2402000      -2.625300    
 H   -2.301200     -0.7612000       1.491200    
 H   -3.143700      0.6436000       2.112700    
 H   -5.229100       1.374100       1.052100    
 H   -5.903800      0.4524000     -0.2692000    
 H   -4.687300      -1.514000      -1.139900    
 H   -3.193200      -2.018200     -0.3883000    
 H    2.182200      0.7215000       2.570200    
 H   0.5139000     -0.6912000      -1.576800    
 H    3.614400     -0.4930000     -0.5838000    
 H    2.203300      -2.447800       2.001100    
 H    1.020800       2.662600      0.8528000    
 H   0.4484000      -2.916800      -2.613900    
 H    4.942400       1.172300      -1.792100    
 H    2.149400      -4.643600      0.9340000    
 H    2.370500       4.302600     -0.3611000    
 H    1.273000      -4.900000      -1.372200    
 H    4.338100       3.575700      -1.685000    


%chk=000023056-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023056

0 1
O -0.747869 0.684602 0.276651
O -0.336629 0.589449 2.563660
O 2.259422 0.088302 2.277703
N -4.045895 -0.628622 -0.008296
C -2.800266 1.530756 -0.763240
C -2.200256 0.998052 0.551130
C -4.296861 1.849556 -0.477740
C -2.715083 0.449610 -1.875252
C -2.982086 -0.293875 0.977380
C -5.019260 0.504055 -0.090861
C -3.425225 -0.852094 -1.352121
C 0.048361 0.470473 1.369510
C 1.500991 0.020359 1.021113
C 1.413554 -1.445751 0.526317
C 2.179495 0.981614 0.028796
C 0.754596 -1.772564 -0.687363
C 3.063328 0.512076 -0.970131
C 1.998771 -2.478675 1.294483
C 2.001893 2.379416 0.185835
C 0.675451 -3.114700 -1.116507
C 3.748482 1.423105 -1.805916
C 1.918048 -3.823139 0.863637
C 2.680287 3.290275 -0.649011
C 1.254755 -4.147218 -0.341157
C 3.557455 2.813958 -1.652217
H -2.262285 2.443448 -1.073244
H -2.214547 1.763947 1.347617
H -4.747830 2.300583 -1.380903
H -4.382775 2.595783 0.335710
H -1.659481 0.256402 -2.132929
H -3.210655 0.835676 -2.785618
H -2.285049 -1.148258 1.047403
H -3.443981 -0.154439 1.969781
H -5.526639 0.591266 0.886819
H -5.785287 0.234669 -0.839434
H -4.221286 -1.181243 -2.043699
H -2.705242 -1.684304 -1.251786
H 1.588976 0.203474 3.012080
H 0.306741 -0.977624 -1.292350
H 3.224336 -0.563718 -1.092883
H 2.523884 -2.209591 2.215114
H 1.343003 2.759751 0.976145
H 0.165978 -3.355000 -2.056776
H 4.434576 1.045459 -2.572342
H 2.376747 -4.614104 1.467705
H 2.532587 4.367968 -0.516301
H 1.190927 -5.189296 -0.674205
H 4.088443 3.519531 -2.301109


