%chk=000127633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127633

0 1
 O   -1.634700      -1.311500     -0.8954000    
 O   -2.001600      -2.504200       1.040500    
 N   -4.295800       1.061100      4.8999999E-02
 C    5.315500       1.465100      0.2818000    
 C    3.894800       1.826800     -0.1941000    
 C   0.1793000      -2.612000     -5.2299999E-02
 C    2.926100      0.6700000     -0.1577000    
 C    1.135700      -1.468300     -8.9500003E-02
 C   -2.958100      0.4935000     -2.9700000E-02
 C   -2.969600     -0.7993000     -0.8296000    
 C    2.173400      0.4269000      0.9913000    
 C    2.783600     -0.1562000      -1.272500    
 C   -4.830000       1.316300      -1.291000    
 C   -4.288900       2.297800      0.8341000    
 C    6.203500       2.711700      0.2566000    
 C    5.946100      0.3659000     -0.5770000    
 C    1.278200     -0.6422000       1.025400    
 C    1.888500      -1.225300      -1.238500    
 C   -1.277900      -2.162300      0.1139000    
 C   0.5231000      -3.657500       1.028300    
 C   -6.252900       1.844600      -1.223400    
 C   -3.738400       2.059000       2.229900    
 H    5.266400       1.102700       1.316700    
 H    3.495800       2.641600      0.4248000    
 H    3.931400       2.231000      -1.215000    
 H   0.2062000      -3.150400      -1.010400    
 H   -2.567800      0.2408000      0.9617000    
 H   -2.238800       1.195900     -0.4727000    
 H   -3.667100      -1.540600     -0.4206000    
 H   -3.236900     -0.6438000      -1.877200    
 H    2.276400       1.063100       1.866200    
 H    3.359600      2.4300000E-02  -2.176200    
 H   -4.199300       2.009400      -1.861600    
 H   -4.915700      0.3914000      -1.867300    
 H   -3.712700       3.091700      0.3425000    
 H   -5.308900       2.668500      0.9782000    
 H    7.207200       2.482600      0.6300000    
 H    5.784600       3.499900      0.8910000    
 H    6.302200       3.109700     -0.7591000    
 H    6.991700      0.2065000     -0.2904000    
 H    5.435000     -0.5924000     -0.4457000    
 H    5.928400      0.6289000      -1.640100    
 H   0.6967000     -0.8126000       1.927400    
 H    1.788300      -1.858700      -2.115800    
 H    1.547000      -4.025600      0.8997000    
 H  -0.1553000      -4.515700      0.9661000    
 H   0.4386000      -3.245200       2.039900    
 H   -6.879300       1.242100     -0.5565000    
 H   -6.296300       2.890500     -0.9045000    
 H   -6.707100       1.805300      -2.220200    
 H   -4.193700       1.182300       2.703400    
 H   -2.649900       1.945400       2.237500    
 H   -3.963500       2.924000       2.864300    


%chk=000127633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127633

0 1
O -2.030460 -1.601587 -0.572780
O -1.466965 -1.165710 1.649600
N -4.608750 1.179622 -0.317178
C 5.788744 1.329752 0.247390
C 4.465833 1.756030 -0.466759
C 0.168099 -2.276650 0.149720
C 3.338750 0.743342 -0.329637
C 1.253186 -1.203124 -0.017262
C -3.270293 0.576386 -0.532342
C -3.364061 -0.951543 -0.351892
C 2.617455 0.627388 0.888901
C 2.985660 -0.126131 -1.391564
C -5.193715 1.813204 -1.527314
C -4.699627 2.007489 0.912739
C 6.799200 2.500292 0.240429
C 6.403335 0.065326 -0.394808
C 1.592136 -0.327244 1.046910
C 1.957460 -1.084222 -1.239324
C -1.166040 -1.624648 0.520753
C 0.555167 -3.324719 1.227538
C -6.732743 1.892335 -1.490790
C -4.511794 1.190385 2.205768
H 5.535140 1.092746 1.302065
H 4.145153 2.728290 -0.041183
H 4.690692 1.933400 -1.537674
H 0.024392 -2.781492 -0.821044
H -2.529100 0.979092 0.186075
H -2.889385 0.801759 -1.547830
H -3.722580 -1.196428 0.661333
H -4.017317 -1.406133 -1.112335
H 2.860098 1.300887 1.720939
H 3.519782 -0.051369 -2.346849
H -4.771895 2.835975 -1.704773
H -4.899163 1.195829 -2.396700
H -3.953722 2.843765 0.890845
H -5.700435 2.475251 0.932176
H 7.738241 2.218765 0.752107
H 6.387884 3.392964 0.748486
H 7.055393 2.789647 -0.797403
H 7.315585 -0.246811 0.146673
H 5.692080 -0.779525 -0.384975
H 6.686365 0.262186 -1.447703
H 1.036353 -0.384663 1.989971
H 1.699940 -1.743854 -2.077269
H 1.531687 -3.774958 0.978952
H -0.199583 -4.129765 1.287107
H 0.628646 -2.850454 2.220803
H -7.158586 0.887572 -1.322728
H -7.098292 2.557789 -0.688377
H -7.117759 2.286678 -2.449688
H -5.285828 0.405503 2.278686
H -3.521235 0.702165 2.250532
H -4.600030 1.851720 3.087886


