%chk=000060969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060969

0 1
 O  -0.3039000      0.9364000      0.6065000    
 O    1.084500       1.866900     -0.9841000    
 N   -3.302400     -0.7833000      5.0900001E-02
 C  -0.1648000     -0.3485000     -2.3800001E-02
 C  -0.9547000      -1.396800      0.8269000    
 C  -0.7167000     -0.2057000      -1.460900    
 C   -2.397100     -0.9847000       1.196400    
 C   -2.033700      0.5495000      -1.662000    
 C   -3.084200      0.5355000     -0.5553000    
 C    1.336300     -0.6973000      1.1400000E-02
 C  -0.9575000      -2.814900      0.2280000    
 C   -4.692300     -0.8840000      0.5152000    
 C    1.897400      -1.437100      -1.024800    
 C    2.119800     -0.2695000       1.078600    
 C   0.3815000       1.956900      1.3000000E-02
 C    3.255800      -1.752700     -0.9934000    
 C    3.478200     -0.5851000       1.109900    
 C   0.1310000       3.227700      0.7904000    
 C    4.046100      -1.326600      7.3899999E-02
 C   0.8768000       4.413300      0.2033000    
 H  -0.4394000      -1.478000       1.796200    
 H  -0.8586000      -1.204800      -1.891200    
 H   8.9999996E-03  0.2459000      -2.148100    
 H   -2.794100      -1.792300       1.828300    
 H   -2.381300     -0.1009000       1.848700    
 H   -1.802100       1.600600      -1.879900    
 H   -2.493600      0.1636000      -2.582300    
 H   -2.858000       1.297200      0.2019000    
 H   -4.011100      0.8878000      -1.029900    
 H   -1.511700      -2.873500     -0.7127000    
 H   5.4600000E-02  -3.190800      5.8899999E-02
 H   -1.435500      -3.515100      0.9233000    
 H   -4.933000     -0.1243000       1.267900    
 H   -4.885700      -1.873400      0.9449000    
 H   -5.388200     -0.7753000     -0.3245000    
 H    1.312100      -1.799800      -1.863300    
 H    1.701300      0.2865000       1.912800    
 H    3.697600      -2.333500      -1.797800    
 H    4.092600     -0.2587000       1.943900    
 H  -0.9445000       3.433500      0.7793000    
 H   0.4564000       3.071300       1.824200    
 H    5.103300      -1.574200      9.9500000E-02
 H   0.5682000       4.598600     -0.8309000    
 H   0.6770000       5.316800      0.7875000    
 H    1.957600       4.236800      0.2035000    


%chk=000060969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060969

0 1
O -0.246649 1.018663 0.580739
O 0.977658 2.111701 -1.094812
N -3.268063 -0.735845 0.045665
C -0.139468 -0.348341 -0.091517
C -0.920600 -1.275526 0.906980
C -0.763161 -0.313922 -1.508886
C -2.366366 -0.814746 1.223672
C -2.001714 0.588650 -1.736719
C -3.127822 0.559385 -0.669902
C 1.348497 -0.755713 -0.084979
C -0.931372 -2.752872 0.447258
C -4.673723 -1.043354 0.393967
C 1.948651 -1.458943 -1.158303
C 2.135308 -0.486136 1.065812
C 0.374769 2.127369 0.000954
C 3.298976 -1.870677 -1.089905
C 3.484833 -0.889812 1.134982
C 0.207438 3.338810 0.911577
C 4.075127 -1.587125 0.055305
C 0.711550 4.643537 0.270550
H -0.362958 -1.211777 1.864409
H -1.037601 -1.353646 -1.761940
H 0.005563 0.015447 -2.228838
H -2.784766 -1.560597 1.927108
H -2.331259 0.162466 1.761671
H -1.671733 1.638005 -1.861653
H -2.425340 0.280428 -2.712565
H -2.959503 1.381965 0.067479
H -4.087148 0.780811 -1.174990
H -1.677194 -2.897304 -0.354598
H 0.056930 -3.088813 0.089482
H -1.220336 -3.402181 1.294105
H -5.130809 -0.320525 1.116544
H -4.733800 -2.051879 0.840821
H -5.291519 -1.043111 -0.521879
H 1.371029 -1.686737 -2.059383
H 1.689030 0.059562 1.905331
H 3.743723 -2.409975 -1.934037
H 4.076401 -0.661227 2.028966
H -0.859090 3.411027 1.197709
H 0.754388 3.125688 1.851516
H 5.123388 -1.902181 0.106074
H 0.141068 4.884783 -0.643042
H 0.608561 5.484705 0.978825
H 1.772106 4.553964 -0.019251


