%chk=000016207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016207

0 1
 O   0.4763000     -0.4618000      0.7877000    
 O  -0.1938000     -8.0300003E-02  -1.417900    
 N   -2.820100     -8.7499999E-02 -0.4746000    
 C   -1.799100     -0.8253000      0.2662000    
 C   -2.641800       1.353300     -0.2956000    
 C   -4.158300     -0.4934000     -4.4799998E-02
 C   -2.010500      -2.322000      8.4600002E-02
 C  -0.4387000     -0.4092000     -0.2642000    
 C   -3.657300       2.137300      -1.109400    
 C   -4.386400     -0.1677000       1.421500    
 C    1.769300     -9.5399998E-02  0.4069000    
 C    2.138600       1.230100      0.4972000    
 C    2.630400      -1.072100     -4.6599999E-02
 C    3.429500       1.595900      0.1161000    
 C    3.921400     -0.7061000     -0.4277000    
 C    1.198700       2.281000      0.9889000    
 C    2.221100      -2.505000     -0.1420000    
 C    4.320800      0.6280000     -0.3463000    
 H   -1.804700     -0.5746000       1.333800    
 H   -2.649800       1.679400      0.7504000    
 H   -1.670800       1.674900     -0.6854000    
 H   -4.930900     -9.3999999E-03 -0.6528000    
 H   -4.346500      -1.556300     -0.2292000    
 H   -1.109400      -2.870400      0.3850000    
 H   -2.826900      -2.712100      0.7003000    
 H   -2.195400      -2.586900     -0.9634000    
 H   -3.720100       1.772900      -2.140700    
 H   -4.656800       2.121000     -0.6648000    
 H   -3.355100       3.189900      -1.156200    
 H   -3.720300     -0.6997000       2.105200    
 H   -4.358500      0.9008000       1.649300    
 H   -5.399400     -0.4947000       1.688600    
 H    3.754500       2.631500      0.1715000    
 H    4.627200      -1.447900     -0.7919000    
 H   0.6180000       1.923500       1.845700    
 H    1.737200       3.174200       1.324300    
 H   0.5129000       2.577600      0.1896000    
 H    3.082400      -3.162200     -0.3038000    
 H    1.739100      -2.833400      0.7848000    
 H    1.528200      -2.647000     -0.9774000    
 H    5.325600      0.9131000     -0.6440000    


%chk=000016207-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016207

0 1
O 0.493777 -0.259835 0.658134
O -0.213515 -0.489907 -1.567402
N -2.913603 -0.085588 -0.348989
C -1.819885 -0.833037 0.321344
C -2.706705 1.386621 -0.260450
C -4.284979 -0.535548 0.004177
C -1.991510 -2.371019 0.231851
C -0.475254 -0.501412 -0.353105
C -3.680877 2.196879 -1.134035
C -4.722587 -0.325377 1.480980
C 1.858781 0.016878 0.286657
C 2.305989 1.348527 0.463814
C 2.695294 -1.040955 -0.143893
C 3.669256 1.618005 0.189714
C 4.051344 -0.724313 -0.408331
C 1.354771 2.436972 0.921311
C 2.164167 -2.450034 -0.312760
C 4.536383 0.591646 -0.245682
H -1.705334 -0.550540 1.396132
H -2.753389 1.754850 0.796607
H -1.680436 1.591897 -0.618837
H -4.986503 -0.003435 -0.662148
H -4.376860 -1.603301 -0.260316
H -1.085700 -2.873928 0.614120
H -2.843471 -2.715909 0.841493
H -2.149149 -2.672230 -0.818024
H -3.672384 1.811235 -2.168673
H -4.718546 2.165568 -0.756031
H -3.369671 3.257319 -1.155024
H -4.071704 -0.877644 2.183904
H -4.697853 0.742772 1.763741
H -5.757262 -0.688098 1.624977
H 4.045663 2.639372 0.318277
H 4.725988 -1.520901 -0.742793
H 0.815771 2.140662 1.838797
H 1.898804 3.375697 1.120003
H 0.586968 2.646319 0.152065
H 2.988007 -3.162028 -0.487045
H 1.605362 -2.780309 0.582402
H 1.473163 -2.507825 -1.174339
H 5.588289 0.815954 -0.453724


