%chk=000049166.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049166

0 1
 O   -1.177800      0.9296000      0.1236000    
 O    2.921800       2.079800     -0.7137000    
 O    2.867000      -2.615200     -0.7845000    
 O   -3.963200      0.7593000     -8.2999997E-02
 O    4.571200     -0.3412000       2.818300    
 N    3.654400      0.8687000       1.091600    
 N    3.627700      -1.476500       1.055900    
 C    2.303200     -0.2629000     -0.6150000    
 C   0.8795000     -0.2553000     -2.9999999E-02
 C    2.221700     -0.2388000      -2.148300    
 C    2.995700       1.003400     -0.1213000    
 C    2.966000      -1.559300     -0.1600000    
 C   0.1145000      0.9775000     -0.4648000    
 C    3.600100     -0.3205000      -2.764600    
 C    3.977000     -0.3179000       1.739200    
 C   -1.959400       2.059600     -0.2403000    
 C   -3.330200       1.939200      0.3971000    
 C   -5.867600     -0.6916000     -5.3399999E-02
 C   -5.246900      0.5832000      0.4999000    
 C   -7.260500     -0.9353000      0.5204000    
 C   -7.894200      -2.186100     -6.7299999E-02
 H   0.3279000      -1.155900     -0.3325000    
 H   0.9037000     -0.2940000       1.067800    
 H    1.613000      -1.071800      -2.521700    
 H    1.765900      0.6818000      -2.527400    
 H   0.5933000       1.899600     -0.1263000    
 H  -1.8400000E-02   1.013000      -1.549100    
 H    4.248500      0.5029000      -2.450600    
 H    3.515700     -0.2615000      -3.855700    
 H    4.112400      -1.260200      -2.541000    
 H    4.008200       1.722900       1.513500    
 H    3.961800      -2.350900       1.451500    
 H   -1.469700       2.978200      0.1012000    
 H   -2.062200       2.086700      -1.331400    
 H   -3.937400       2.815800      0.1457000    
 H   -3.226100       1.869100       1.486100    
 H   -5.914400     -0.6252000      -1.147700    
 H   -5.211200      -1.542600      0.1671000    
 H   -5.879900       1.445200      0.2584000    
 H   -5.149300      0.5103000       1.589500    
 H   -7.201400      -1.038200       1.610100    
 H   -7.906300     -7.4800000E-02  0.3103000    
 H   -7.288800      -3.071700      0.1505000    
 H   -8.890300      -2.342300      0.3586000    
 H   -7.999000      -2.099700      -1.153500    


%chk=000049166-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049166

0 1
O -1.156757 1.140183 0.250653
O 3.057270 2.157681 -0.737344
O 2.489511 -2.645067 -0.358568
O -4.164334 0.910047 -0.126886
O 5.166217 -0.273902 2.607500
N 4.024890 0.918801 0.951247
N 3.773910 -1.423046 1.120689
C 2.357102 -0.197716 -0.566001
C 0.897071 -0.041489 0.024610
C 2.327362 -0.320006 -2.120919
C 3.167479 1.044619 -0.159310
C 2.877475 -1.517442 0.038459
C 0.069822 1.116252 -0.554022
C 3.709267 -0.590564 -2.750873
C 4.372793 -0.260107 1.634996
C -2.100386 2.170166 -0.200368
C -3.413385 1.973180 0.543235
C -6.063254 -0.593361 -0.181132
C -5.370404 0.517587 0.612949
C -7.344684 -1.109833 0.513309
C -8.039069 -2.230959 -0.289687
H 0.363675 -0.990595 -0.164444
H 0.946209 0.094062 1.122573
H 1.629580 -1.137770 -2.375621
H 1.919120 0.621840 -2.525946
H 0.607334 2.084451 -0.480082
H -0.184971 0.937588 -1.620257
H 4.423298 0.222947 -2.525353
H 3.619413 -0.653694 -3.849694
H 4.136823 -1.547000 -2.399651
H 4.496768 1.771302 1.271128
H 4.049446 -2.301275 1.572839
H -1.683214 3.179689 0.012256
H -2.282580 2.083614 -1.292985
H -4.001500 2.919139 0.533174
H -3.199983 1.703434 1.600678
H -6.308676 -0.210796 -1.190858
H -5.346736 -1.425763 -0.320062
H -6.047745 1.394941 0.735631
H -5.089304 0.158130 1.629416
H -7.090292 -1.484581 1.525885
H -8.052404 -0.268166 0.660082
H -7.361998 -3.094625 -0.427900
H -8.949029 -2.591845 0.223724
H -8.335127 -1.873651 -1.293871


