%chk=000047309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047309

0 1
 O   0.5529000     -0.6708000      6.8999999E-03
 O   -3.195100      0.7475000      0.4294000    
 O   -1.010700      -1.262600      -1.568000    
 O   -5.065100     -0.6225000      0.3664000    
 N   -1.514700      -1.208100      0.6959000    
 C    2.820200     -5.2499998E-02 -0.4196000    
 C    1.519900     -0.4829000      -1.032400    
 C    3.751500      -1.011100     -3.6100000E-02
 C    3.081900       1.301300     -0.2402000    
 C    4.960000     -0.6108000      0.5339000    
 C    4.290600       1.701500      0.3297000    
 C    5.229500      0.7456000      0.7167000    
 C   -2.898200      -1.615900      0.6115000    
 C  -0.6901000      -1.066500     -0.4003000    
 C   -3.853100     -0.4528000      0.4590000    
 C   -4.020200       1.845400      0.2789000    
 C   -3.959300       2.715200     -0.7316000    
 H    1.162400      0.2785000      -1.737100    
 H    1.653900      -1.420100      -1.587100    
 H    3.551000      -2.070300     -0.1720000    
 H    2.356700       2.054300     -0.5360000    
 H    5.691100      -1.355100      0.8360000    
 H    4.500200       2.757500      0.4726000    
 H   -3.022800      -2.281500     -0.2478000    
 H   -3.137200      -2.144400       1.538500    
 H    6.170400       1.057300       1.160800    
 H   -1.130800     -0.9993000       1.612600    
 H   -4.727500       1.937200       1.092700    
 H   -3.232300       2.596700      -1.527300    
 H   -4.638900       3.558600     -0.7750000    


%chk=000047309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047309

0 1
O 0.623529 -0.662677 -0.423084
O -3.580764 0.889329 0.496987
O -0.563143 -2.537039 -1.245764
O -5.311372 -0.578937 -0.096439
N -1.647802 -0.685113 -0.306052
C 3.041716 -0.459650 -0.403336
C 1.897728 -1.348116 -0.825117
C 3.605427 -0.578803 0.892066
C 3.569541 0.506521 -1.296365
C 4.674220 0.254339 1.290391
C 4.638545 1.341722 -0.902162
C 5.193225 1.216946 0.392999
C -2.983038 -1.241598 -0.494744
C -0.542398 -1.397865 -0.706491
C -4.095849 -0.318754 -0.030213
C -4.502884 1.864240 0.979436
C -4.039545 3.024938 1.484464
H 1.869360 -1.507063 -1.917806
H 1.923790 -2.335508 -0.330957
H 3.203206 -1.324550 1.588393
H 3.139892 0.604409 -2.300724
H 5.103448 0.152117 2.293271
H 5.039916 2.083678 -1.601359
H -3.169480 -1.481660 -1.560532
H -3.099397 -2.202242 0.046108
H 6.025046 1.861435 0.698973
H -1.543091 0.235130 0.122320
H -5.555042 1.572901 0.894156
H -2.970630 3.250659 1.538787
H -4.747955 3.770611 1.853797


