%chk=000023817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023817

0 1
 O    2.730100      0.7233000      0.5903000    
 O    2.162900      -1.990700      0.4113000    
 N   -3.626600     -2.5300000E-02  0.1605000    
 C   -2.014300       1.824300      5.9599999E-02
 C   -3.315500       1.245500     -0.5054000    
 C   -2.609900      -1.038100     -0.1747000    
 C  -0.9027000      0.8095000      0.1257000    
 C   -1.193600     -0.5641000      5.8699999E-02
 C   0.4203000       1.229400      0.3149000    
 C  -0.1503000      -1.495700      0.1449000    
 C   -4.958400     -0.4967000     -0.2171000    
 C    1.449700      0.2934000      0.4112000    
 C    1.165000      -1.067500      0.3239000    
 C    3.276200       1.570800     -0.4182000    
 C    2.792600      -2.381600     -0.8073000    
 C    4.774600       1.363500     -0.4782000    
 H   -2.192200       2.200800       1.075000    
 H   -1.706300       2.673000     -0.5628000    
 H   -4.115300       1.976700     -0.3351000    
 H   -3.229200       1.106100      -1.591600    
 H   -2.693500      -1.340000      -1.227500    
 H   -2.786000      -1.924700      0.4473000    
 H   0.6380000       2.291800      0.3953000    
 H  -0.3657000      -2.559400      7.2600000E-02
 H   -5.721700      0.2301000      8.2000002E-02
 H   -5.196200      -1.432400      0.3007000    
 H   -5.048400     -0.6663000      -1.296200    
 H    2.841600       1.344500      -1.399900    
 H    3.054800       2.613300     -0.1655000    
 H    3.212500      -1.514200      -1.325400    
 H    2.077000      -2.895400      -1.456900    
 H    3.605200      -3.072400     -0.5668000    
 H    5.228400       2.007800      -1.236400    
 H    5.233100       1.582700      0.4917000    
 H    5.011500      0.3207000     -0.7131000    


%chk=000023817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023817

0 1
O 2.861797 0.297755 -0.174902
O 1.991797 -2.388065 0.194047
N -3.663067 0.106338 0.231461
C -1.952196 1.803111 -0.299687
C -3.329921 1.226961 -0.676471
C -2.755562 -1.045238 0.036826
C -0.898724 0.708169 -0.200866
C -1.287771 -0.640650 -0.020346
C 0.480101 1.031008 -0.268631
C -0.287147 -1.637830 0.068604
C -5.077462 -0.298243 0.163940
C 1.477958 0.037525 -0.157308
C 1.083605 -1.327782 0.001156
C 3.292556 1.706965 -0.232243
C 3.038280 -2.576072 -0.830452
C 4.818152 1.706752 -0.173161
H -2.046223 2.315251 0.678299
H -1.646718 2.566253 -1.042252
H -4.107502 2.005436 -0.567526
H -3.327258 0.904406 -1.751266
H -3.008752 -1.601871 -0.908336
H -2.913436 -1.757284 0.870271
H 0.763099 2.081059 -0.399645
H -0.554001 -2.692278 0.204423
H -5.725236 0.567282 0.390513
H -5.277063 -1.080751 0.918775
H -5.376829 -0.704563 -0.836983
H 2.926830 2.169598 -1.172607
H 2.855865 2.259255 0.625270
H 3.709331 -1.702623 -0.876450
H 2.579690 -2.753781 -1.823429
H 3.591281 -3.472646 -0.510082
H 5.198298 2.744317 -0.195534
H 5.169836 1.224265 0.754624
H 5.244092 1.160670 -1.032532


