%chk=000045417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045417

0 1
 O  -0.7805000      0.6143000       1.979800    
 O   0.1859000      -1.472300       2.170300    
 N   -3.473000     -0.8359000     -8.1500001E-02
 C    2.268600      0.8407000       1.149800    
 C    1.444500       1.644400      0.1541000    
 C    2.572400     -0.4175000      0.3491000    
 C    1.313300      0.9365000      -1.062100    
 C    2.005400     -0.3287000     -0.9423000    
 C    1.510900      0.5483000       2.438800    
 C   0.8820000       2.899800      0.3193000    
 C    3.304300      -1.527800      0.7380000    
 C   0.6063000       1.480500      -2.122000    
 C    2.161000      -1.360800      -1.853400    
 C   0.2563000     -0.2511000       2.186400    
 C   0.1698000       3.447700     -0.7491000    
 C    3.460500      -2.567700     -0.1802000    
 C   3.2400001E-02   2.744600      -1.957600    
 C    2.893900      -2.485400      -1.463000    
 C   -2.200000     -0.2009000      0.2251000    
 C   -2.050000      4.8000002E-03   1.724000    
 C   -3.600500      -1.072800      -1.521600    
 C   -4.589500     -1.6799999E-02  0.3966000    
 C   -2.452800      -1.921400      -2.042100    
 C   -5.921400     -0.7024000      0.1435000    
 H    3.205200       1.373900       1.352000    
 H    2.131200     -3.2200001E-02   3.132900    
 H    1.250800       1.470800       2.972000    
 H   0.9887000       3.447500       1.249100    
 H    3.746800      -1.593600       1.725800    
 H   0.4918000      0.9500000      -3.061400    
 H    1.730300      -1.311300      -2.847900    
 H  -0.2840000       4.429800     -0.6466000    
 H    4.028100      -3.451500      9.8600000E-02
 H  -0.5274000       3.191000      -2.775300    
 H    3.029000      -3.307500      -2.161100    
 H   -1.354100     -0.8214000     -8.7099999E-02
 H   -2.086400      0.7601000     -0.2937000    
 H   -2.170300     -0.9271000       2.290000    
 H   -2.770800      0.7232000       2.121500    
 H   -4.510800      -1.640700      -1.739700    
 H   -3.649800     -0.1342000      -2.088000    
 H   -4.551100      0.1102000       1.481800    
 H   -4.590700      0.9824000     -5.6499999E-02
 H   -2.694200      -2.285200      -3.047400    
 H   -2.276600      -2.800400      -1.412700    
 H   -1.520900      -1.354900      -2.135100    
 H   -6.709900     -0.1927000      0.7089000    
 H   -5.909600      -1.747600      0.4715000    
 H   -6.219600     -0.6626000     -0.9086000    


%chk=000045417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045417

0 1
O -0.861969 0.234505 2.208511
O 0.164428 -1.744953 1.513355
N -3.749369 -0.620522 -0.107600
C 2.290763 0.722717 1.128502
C 1.468901 1.672444 0.251634
C 2.795828 -0.306058 0.113507
C 1.528173 1.257198 -1.112768
C 2.352507 0.035581 -1.198578
C 1.530797 0.132467 2.362658
C 0.741356 2.816298 0.619980
C 3.600672 -1.437608 0.323332
C 0.856482 1.992002 -2.114732
C 2.720948 -0.755126 -2.309024
C 0.246378 -0.583975 1.979200
C 0.066048 3.553941 -0.385241
C 3.968975 -2.233611 -0.789798
C 0.125191 3.143985 -1.741040
C 3.533405 -1.892604 -2.094765
C -2.410979 -0.103285 0.270700
C -2.188574 -0.316731 1.781691
C -3.698275 -1.825685 -0.974446
C -4.697884 0.425037 -0.570448
C -3.079555 -3.048928 -0.270410
C -6.176946 0.031056 -0.387519
H 3.159498 1.272653 1.549537
H 2.191285 -0.592750 2.870302
H 1.293437 0.947623 3.066708
H 0.681014 3.133027 1.667188
H 3.934316 -1.715802 1.329744
H 0.898920 1.681442 -3.164853
H 2.385998 -0.498245 -3.320380
H -0.506300 4.447912 -0.113179
H 4.591250 -3.123139 -0.641464
H -0.400662 3.726993 -2.505745
H 3.827351 -2.520102 -2.943758
H -1.609701 -0.623247 -0.290119
H -2.315312 0.975465 0.036669
H -2.231326 -1.390202 2.030608
H -2.922162 0.246431 2.378589
H -4.733459 -2.073434 -1.271344
H -3.132768 -1.616980 -1.919271
H -4.503648 1.334236 0.028898
H -4.516136 0.704165 -1.640376
H -3.076041 -3.918448 -0.953940
H -3.667527 -3.311712 0.627256
H -2.035621 -2.864689 0.042056
H -6.834979 0.874631 -0.668316
H -6.369676 -0.234929 0.666677
H -6.459555 -0.832947 -1.015287


