%chk=000045766.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045766

1 1
 O    1.472400     -0.4313000     -0.9184000    
 O    3.562500      0.2408000     -0.4150000    
 O    2.032500      3.7999999E-02   1.297000    
 N   -3.072700      0.9700000      1.8999999E-02
 C   -1.998900     -0.1192000     -3.7300002E-02
 C   -3.574600       1.090400       1.455100    
 C   -4.210400      0.5871000     -0.9235000    
 C   -2.536100       2.332900     -0.4134000    
 C  -0.7663000      0.2553000     -0.4562000    
 C   -2.372100      -1.366900      0.3358000    
 C   0.2115000     -0.7380000     -0.5082000    
 C   -1.394300      -2.360200      0.2837000    
 C  -0.1025000      -2.045800     -0.1383000    
 C    2.337500     -3.8400002E-02  0.1135000    
 C    4.559500      0.6581000      0.5234000    
 C    5.852000      0.9273000     -0.2174000    
 H   -2.719700       1.286700       2.110200    
 H   -4.280700       1.926000       1.499000    
 H   -4.092100      0.1732000       1.748800    
 H   -4.705200     -0.3188000     -0.5627000    
 H   -4.934200       1.408400     -0.9332000    
 H   -3.799100      0.4368000      -1.926800    
 H   -2.211400       2.286700      -1.458100    
 H   -3.359400       3.052800     -0.3418000    
 H   -1.742400       2.650200      0.2711000    
 H  -0.4622000       1.248400     -0.7565000    
 H   -3.367900      -1.636700      0.6655000    
 H   -1.638500      -3.378800      0.5714000    
 H   0.6543000      -2.824500     -0.1768000    
 H    4.225600       1.570900       1.029100    
 H    4.716000     -0.1327000       1.265600    
 H    6.637900       1.249200      0.4715000    
 H    6.189300      2.8100001E-02 -0.7434000    
 H    5.706800       1.703600     -0.9759000    


%chk=000045766-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045766

1 1
O 1.645835 -0.884519 -0.089920
O 3.644619 0.054429 -0.085828
O 1.792774 1.482215 0.084921
N -3.059050 0.931960 0.176609
C -2.041347 -0.211002 0.072655
C -3.897552 0.754671 1.451638
C -3.976268 0.913261 -1.055284
C -2.399029 2.310836 0.243113
C -0.665413 0.082635 0.048154
C -2.530889 -1.532854 0.004090
C 0.240796 -1.003275 -0.049648
C -1.600104 -2.591937 -0.092869
C -0.216115 -2.337324 -0.120765
C 2.326056 0.354550 -0.018486
C 4.599372 1.229746 -0.029884
C 5.999952 0.646990 -0.134310
H -3.219323 0.753952 2.317424
H -4.614153 1.587617 1.523479
H -4.437347 -0.200660 1.406377
H -4.504858 -0.047957 -1.104358
H -4.701666 1.737355 -0.970171
H -3.355103 1.038468 -1.954262
H -1.809643 2.483567 -0.668513
H -3.198032 3.064281 0.314660
H -1.753710 2.370258 1.130987
H -0.255767 1.090627 0.101831
H -3.599628 -1.766913 0.023829
H -1.961991 -3.622443 -0.147229
H 0.515536 -3.145750 -0.196065
H 4.346271 1.901913 -0.868508
H 4.419772 1.756347 0.923850
H 6.738607 1.467798 -0.098491
H 6.208881 -0.041552 0.700943
H 6.135618 0.102308 -1.083167


