%chk=000027090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027090

0 1
 O   0.8204000       1.528600     -0.3855000    
 O    1.403000       2.204000       1.736700    
 N   -2.201900     -0.1526000     -0.7553000    
 N    6.532900      -1.051100     -0.2942000    
 C   -3.485200      0.5273000     -0.5736000    
 C   -2.407500      -1.571200      -1.029200    
 C   -4.275400     -0.1321000      0.5581000    
 C   -1.060000      -2.284100      -1.156000    
 C   -1.442500      0.4753000      -1.837300    
 C   -5.640800      0.5327000      0.8166000    
 C  -0.1942000      -2.182600      0.1144000    
 C   -1.231100       1.957300      -1.545100    
 C   -6.475800      0.5195000     -0.4663000    
 C   -6.418200     -0.1478000       1.944500    
 C  -0.9619000      -2.747500       1.312200    
 C    1.143400      -2.910000     -3.0200001E-02
 C  -0.4431000       2.166300     -0.2590000    
 C    1.650100       1.625000      0.6902000    
 C    2.932000      0.9218000      0.4316000    
 C    3.613500      0.3652000       1.494400    
 C    3.402400      0.8473000     -0.8635000    
 C    4.818200     -0.2947000       1.251700    
 C    4.607000      0.1873000      -1.106400    
 C    5.314900     -0.3838000     -4.8799999E-02
 H   -4.049200      0.5090000      -1.512500    
 H   -3.360900       1.570500     -0.2712000    
 H   -2.972400      -1.713200      -1.960400    
 H   -2.958800      -2.101900     -0.2532000    
 H   -4.507700      -1.179200      0.3458000    
 H   -3.686000     -0.1112000       1.484000    
 H  -0.4945000      -1.966100      -2.037800    
 H   -1.270700      -3.346600      -1.345000    
 H  -0.4500000      3.5000000E-02  -1.964500    
 H   -1.963000      0.3720000      -2.798700    
 H   -5.474100       1.577400       1.108200    
 H   3.6499999E-02  -1.131800      0.3220000    
 H  -0.6352000       2.360900      -2.375500    
 H   -2.154800       2.542800      -1.548000    
 H   -6.069700       1.197500      -1.222700    
 H   -6.539600     -0.4860000     -0.8959000    
 H   -7.497600      0.8600000     -0.2637000    
 H   -7.364600      0.3692000       2.134900    
 H   -6.643800      -1.190900       1.698400    
 H   -5.837800     -0.1369000       2.872900    
 H   -1.804200      -2.109900       1.596000    
 H   -1.338700      -3.755800       1.110200    
 H  -0.3107000      -2.807100       2.191800    
 H    1.751600      -2.795700      0.8733000    
 H   0.9955000      -3.980300     -0.2088000    
 H    1.714000      -2.501400     -0.8707000    
 H  -0.9779000       1.774700      0.6134000    
 H  -0.2858000       3.241500     -0.1118000    
 H    3.234700      0.4245000       2.510500    
 H    2.876900       1.294200      -1.702100    
 H    5.360000     -0.7366000       2.084100    
 H    4.985100      0.1267000      -2.123800    
 H    7.046200      -1.465900      0.4721000    
 H    6.893300      -1.116600      -1.236900    


%chk=000027090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027090

0 1
O 1.076754 1.492958 -0.190495
O 1.697319 1.288736 2.050242
N -2.284856 0.004182 -0.929745
N 7.015273 -0.785330 -1.084953
C -3.714807 0.422195 -0.918128
C -2.114455 -1.421166 -1.332250
C -4.485877 -0.080503 0.322379
C -0.801300 -2.061823 -0.827082
C -1.437128 0.923194 -1.735433
C -5.916313 0.506726 0.460546
C -0.667639 -2.177276 0.714442
C -1.090327 2.233642 -0.992433
C -6.846912 0.075961 -0.700435
C -6.531035 0.103001 1.822219
C -1.728939 -3.123564 1.324987
C 0.756926 -2.648761 1.091235
C -0.250731 2.002365 0.262885
C 1.982851 1.161904 0.829696
C 3.270672 0.662628 0.295875
C 4.284974 0.280579 1.215901
C 3.534442 0.551242 -1.096600
C 5.523233 -0.198816 0.766976
C 4.770374 0.073333 -1.557727
C 5.788496 -0.311214 -0.632421
H -4.232142 0.095808 -1.855326
H -3.747319 1.529047 -0.913434
H -2.166158 -1.526754 -2.446782
H -2.970658 -1.991052 -0.929776
H -4.560246 -1.187727 0.310672
H -3.888857 0.186042 1.216791
H 0.064885 -1.486779 -1.212879
H -0.721784 -3.076222 -1.274398
H -0.489850 0.407136 -1.968527
H -1.919693 1.171824 -2.714498
H -5.830819 1.615287 0.439526
H -0.826591 -1.164610 1.136276
H -0.548352 2.909997 -1.681757
H -2.016845 2.759446 -0.688393
H -6.484342 0.436643 -1.679927
H -6.917541 -1.028386 -0.750217
H -7.869095 0.472361 -0.553379
H -7.535710 0.546103 1.956055
H -6.636175 -0.997226 1.892657
H -5.895803 0.435382 2.664346
H -2.757579 -2.754436 1.159384
H -1.652014 -4.137549 0.884395
H -1.584407 -3.219279 2.417407
H 0.884724 -2.695400 2.188673
H 0.957190 -3.659350 0.682480
H 1.526718 -1.962449 0.691658
H -0.716507 1.246232 0.918456
H -0.088270 2.930866 0.839929
H 4.073800 0.369372 2.286935
H 2.757630 0.847056 -1.807481
H 6.295105 -0.490045 1.489689
H 4.960961 -0.006377 -2.635003
H 7.741618 -1.060323 -0.429842
H 7.209429 -0.865933 -2.078991


