%chk=000045400.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045400

0 1
 O  -0.1100000      -1.031500     -0.3885000    
 N    4.603700     -0.6525000     -0.3813000    
 N    3.400900     -1.7500000E-02 -0.8186000    
 C    6.875200     -0.3812000      8.2300000E-02
 C    6.165500     -0.8932000       1.332600    
 C    5.763600      0.1183000     -0.8307000    
 C    4.685700     -0.6418000       1.080400    
 C    2.272500     -0.8208000     -0.3706000    
 C   0.9601000     -0.2077000     -0.8322000    
 C   -1.369900     -0.5106000     -0.7897000    
 C   -1.545200      0.9323000     -0.3576000    
 C   -2.484900      -1.411700     -0.3010000    
 C   -1.640500       1.917200      -1.323400    
 C   -1.605300       1.227300      0.9918000    
 C   -3.655100      -1.494800      -1.034500    
 C   -2.307600      -2.131400      0.8672000    
 C   -1.864500       3.563000      0.4309000    
 C   -1.801600       3.244400     -0.9255000    
 C   -1.766500       2.554500       1.389600    
 C   -4.682000      -2.324800     -0.5847000    
 C   -3.334600      -2.961500       1.316800    
 C   -4.521700      -3.058100      0.5908000    
 C   -2.037800       4.981900      0.8560000    
 H    7.430500      -1.199500     -0.3907000    
 H    7.587600      0.4157000      0.3188000    
 H    6.512700     -0.3797000       2.234800    
 H    6.363900      -1.964400       1.457800    
 H    5.997300     -6.1299998E-02  -1.885300    
 H    5.625700       1.198200     -0.6840000    
 H    4.398100      0.3277000       1.509600    
 H    4.095800      -1.431400       1.557200    
 H    3.395700      2.9100001E-02  -1.837600    
 H    2.341100      -1.848700     -0.7517000    
 H    2.209500     -0.8943000      0.7213000    
 H   0.9017000      0.8002000     -0.4082000    
 H   0.9400000     -0.1383000      -1.927000    
 H   -1.383400     -0.5675000      -1.888000    
 H   -1.592700       1.681300      -2.382200    
 H   -1.515200      0.4616000       1.755000    
 H   -3.790100     -0.9267000      -1.950300    
 H   -1.396000      -2.069400       1.453800    
 H   -1.878500       4.021000      -1.682000    
 H   -1.812500       2.790600       2.449500    
 H   -5.606600      -2.399700      -1.149700    
 H   -3.210700      -3.531500       2.233000    
 H   -5.321400      -3.704000      0.9412000    
 H   -1.557100       5.166300       1.822800    
 H   -3.102400       5.220800      0.9425000    
 H   -1.581200       5.668900      0.1355000    


%chk=000045400-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045400

0 1
O -0.121255 -0.885501 -0.215695
N 4.723192 -0.828504 -0.049592
N 3.509272 -0.173954 -0.636760
C 7.117209 -0.804129 0.033220
C 6.529529 -0.648819 1.479884
C 5.912435 -0.545044 -0.909812
C 5.073608 -0.180477 1.254775
C 2.281939 -0.853001 -0.129734
C 1.050349 -0.168789 -0.734630
C -1.400279 -0.404395 -0.779882
C -1.688217 1.040671 -0.372727
C -2.484945 -1.395479 -0.343418
C -1.798724 2.061118 -1.343700
C -1.827171 1.387182 0.995888
C -3.851749 -1.069677 -0.535209
C -2.147534 -2.657003 0.203551
C -2.193197 3.752353 0.402938
C -2.053154 3.399579 -0.961430
C -2.072862 2.720608 1.375094
C -4.864597 -1.990897 -0.189979
C -3.162725 -3.575850 0.556502
C -4.523663 -3.249593 0.358538
C -2.457370 5.187572 0.824981
H 7.523732 -1.819000 -0.112101
H 7.931285 -0.085230 -0.163587
H 7.093137 0.077544 2.090289
H 6.546092 -1.618246 2.006096
H 5.911201 -1.201114 -1.799459
H 5.903483 0.519594 -1.252127
H 5.005389 0.928763 1.165432
H 4.385055 -0.510699 2.051003
H 3.574466 -0.334900 -1.658342
H 2.266924 -1.941507 -0.353428
H 2.246489 -0.738524 0.967471
H 1.021655 0.900584 -0.448016
H 1.064364 -0.231762 -1.848547
H -1.320961 -0.435730 -1.893255
H -1.686756 1.811901 -2.407125
H -1.738399 0.601978 1.755236
H -4.122918 -0.089031 -0.944092
H -1.092307 -2.899620 0.353014
H -2.139377 4.177018 -1.730219
H -2.177009 2.971689 2.438293
H -5.916910 -1.725567 -0.343465
H -2.889623 -4.547484 0.984349
H -5.309011 -3.964154 0.630306
H -1.620335 5.588804 1.427441
H -3.368945 5.262645 1.446893
H -2.589011 5.848877 -0.048664


