%chk=000020162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020162

0 1
 O   0.3700000      0.9136000      -1.034200    
 O    2.693300      -2.224800       1.491000    
 O   -1.564200      -3.147800      7.9800002E-02
 N    1.655600     -0.6707000      9.1200002E-02
 N   0.5888000      -2.683400      0.7276000    
 C    2.740900      0.2625000      0.2744000    
 C    2.260300       1.502100       1.032600    
 C    3.364300      0.6398000      -1.072100    
 C    3.376700       2.530600       1.194600    
 C    4.480000       1.668300     -0.9062000    
 C    3.999200       2.902300     -0.1483000    
 C  -0.3940000      -1.367500      -1.058000    
 C   0.5497000     -0.2467000     -0.6621000    
 C   -1.756800     -0.8214000      -1.481000    
 C    1.728000      -1.884900      0.8015000    
 C   -2.504100     -0.2038000     -0.2992000    
 C  -0.5490000      -2.462800     -2.9600000E-02
 C   -3.854000      0.3718000     -0.7335000    
 C   -4.583000       1.023200      0.4438000    
 C   -5.930600       1.636800      5.7900000E-02
 C   -6.670800       2.262900       1.229700    
 H    3.534800     -0.1973000      0.8760000    
 H    1.424800       2.017200      0.5543000    
 H    1.898800       1.206500       2.025900    
 H    3.769900     -0.2581000      -1.555100    
 H    2.629000       1.051900      -1.770900    
 H    2.983900       3.430200       1.681900    
 H    4.152600       2.124700       1.855500    
 H    5.318900       1.212400     -0.3659000    
 H    4.859200       1.964100      -1.891000    
 H    3.260200       3.438400     -0.7564000    
 H    4.839200       3.587500      1.1600000E-02
 H   6.5399997E-02  -1.842600      -1.936400    
 H   -2.364200      -1.628600      -1.910000    
 H   -1.635200     -7.2400004E-02  -2.273600    
 H   -2.681900     -0.9444000      0.4875000    
 H   -1.910600      0.5984000      0.1537000    
 H   0.5732000      -3.496500       1.337100    
 H   -3.700300       1.117000      -1.523300    
 H   -4.477600     -0.4253000      -1.156100    
 H   -4.742300      0.2736000       1.228900    
 H   -3.947000       1.804900      0.8774000    
 H   -5.773800       2.401800     -0.7118000    
 H   -6.566800      0.8632000     -0.3883000    
 H   -7.624000       2.684800      0.8962000    
 H   -6.080000       3.067200       1.679200    
 H   -6.879600       1.516700       2.002800    


%chk=000020162-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020162

0 1
O 0.933956 0.401929 -2.145196
O 1.772576 -1.746040 1.943127
O -1.206481 -3.766291 -0.964885
N 1.362217 -0.604167 -0.080041
N 0.278935 -2.687953 0.447918
C 2.370788 0.451326 0.311338
C 1.725180 1.852749 0.435007
C 3.602392 0.450191 -0.626823
C 2.781539 2.868558 0.937678
C 4.644035 1.478106 -0.118877
C 4.024341 2.890123 0.015629
C -0.386681 -1.561243 -1.649145
C 0.688616 -0.521278 -1.321952
C -1.788007 -0.863511 -1.770875
C 1.174219 -1.670008 0.838316
C -2.315795 -0.250947 -0.455889
C -0.481781 -2.765436 -0.726891
C -3.704184 0.401736 -0.643910
C -4.267611 1.022912 0.653838
C -5.659815 1.667104 0.462514
C -6.220550 2.287601 1.760210
H 2.705970 0.138810 1.317354
H 1.339094 2.174631 -0.548345
H 0.871724 1.807182 1.139231
H 4.047280 -0.563271 -0.653694
H 3.289029 0.710791 -1.653058
H 2.326730 3.875943 0.993903
H 3.095308 2.600089 1.967764
H 5.033189 1.154762 0.868883
H 5.507249 1.501219 -0.811033
H 3.728559 3.256763 -0.988463
H 4.777387 3.599444 0.409716
H -0.146636 -1.946840 -2.658663
H -2.497801 -1.626010 -2.142065
H -1.693029 -0.079396 -2.544405
H -2.388801 -1.034825 0.325718
H -1.604550 0.513001 -0.079016
H 0.202991 -3.466996 1.110776
H -3.637171 1.185426 -1.427048
H -4.416169 -0.360059 -1.024304
H -4.331800 0.240938 1.439180
H -3.559742 1.788931 1.034296
H -5.595057 2.446807 -0.323829
H -6.365702 0.900577 0.082440
H -7.215080 2.741285 1.595138
H -5.548335 3.077921 2.144706
H -6.325623 1.522816 2.552825


