%chk=000034613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034613

0 1
 O    1.857200       2.945600     -0.5672000    
 O    3.581800      -2.211600     -6.1200000E-02
 O  -0.8768000       1.266300       2.426900    
 N   0.9879000      -2.785800      0.2550000    
 C    1.533000      0.8257000      0.1433000    
 C    1.922900     -0.5156000      0.3026000    
 C    1.052900      -1.522600      0.9878000    
 C   0.3973000       1.602100      0.4943000    
 C    2.400700       1.697400     -0.5065000    
 C    3.168400     -0.9178000     -0.1991000    
 C    3.644100       1.327200      -1.015600    
 C   0.6443000       2.877500      4.1499998E-02
 C    4.011900     -1.0800000E-02 -0.8459000    
 C  -0.7962000       1.202000       1.180600    
 C   -2.018300      0.6849000      0.4700000    
 C   0.4436000      -2.572200      -1.085800    
 C   0.1780000      -3.760300      0.9856000    
 C   -1.982000      0.5951000     -0.8965000    
 C   -3.104300      0.3305000       1.226500    
 C   -4.241900     -0.2563000     -0.8226000    
 C   -3.114500      0.1158000      -1.554900    
 C   -4.236900     -0.1490000      0.5681000    
 C   -5.453000     -0.7681000      -1.526800    
 H    1.487000      -1.696800       1.981600    
 H   4.2399999E-02  -1.148800       1.155900    
 H    4.292500       2.036400      -1.516200    
 H   8.7700002E-02   3.803300      7.0900001E-02
 H    4.976100     -0.3365000      -1.230300    
 H    1.075700      -1.937000      -1.713500    
 H  -0.5627000      -2.139200      -1.057300    
 H   0.3761000      -3.528900      -1.617900    
 H   0.6033000      -3.947800       1.977800    
 H   0.1697000      -4.722900      0.4622000    
 H  -0.8590000      -3.427700       1.111600    
 H   -1.122400      0.8734000      -1.495700    
 H   -3.124600      0.4047000       2.308700    
 H    4.460400      -2.310600     -0.4661000    
 H   -3.106900      3.7700001E-02  -2.638900    
 H   -5.109800     -0.4340000       1.149500    
 H   -6.001600      -1.481400     -0.9021000    
 H   -6.119800      6.2300000E-02  -1.779000    
 H   -5.181400      -1.293100      -2.449000    


%chk=000034613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034613

0 1
O 1.355962 2.419164 -1.181435
O 4.506267 -1.672810 0.883828
O -0.906167 -0.331781 1.811148
N 1.574140 -3.035036 0.342306
C 1.593300 0.421756 0.021128
C 2.345936 -0.673301 0.538686
C 1.765425 -1.875049 1.266632
C 0.165540 0.802537 -0.024176
C 2.275128 1.443792 -0.708651
C 3.752208 -0.623256 0.323894
C 3.651286 1.483103 -0.940443
C 0.100811 1.985106 -0.754489
C 4.398653 0.420967 -0.394324
C -1.018249 0.239147 0.677455
C -2.376078 0.391221 0.051519
C 0.429128 -2.871197 -0.572876
C 1.531785 -4.317500 1.069376
C -2.579446 0.488061 -1.350768
C -3.514007 0.366133 0.904057
C -5.021900 0.573774 -1.031590
C -3.885588 0.573372 -1.879813
C -4.810748 0.464390 0.371566
C -6.425525 0.688260 -1.596407
H 2.497175 -2.196705 2.027538
H 0.825749 -1.590709 1.784952
H 4.116904 2.291701 -1.508594
H -0.731093 2.640229 -0.998661
H 5.487486 0.399014 -0.528630
H 0.548455 -1.944081 -1.160646
H -0.558806 -2.826663 -0.047470
H 0.402895 -3.718990 -1.281896
H 2.459472 -4.439213 1.656286
H 1.473186 -5.150388 0.344460
H 0.660997 -4.410973 1.768407
H -1.721572 0.456788 -2.030586
H -3.349518 0.262308 1.981682
H 5.463917 -1.572736 0.659034
H -4.025708 0.630460 -2.965814
H -5.676483 0.453585 1.045037
H -7.092064 -0.088071 -1.178070
H -6.874459 1.668705 -1.346328
H -6.431594 0.587986 -2.695026


