%chk=000128236.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128236

0 1
 O   -2.133600      -1.325900     -0.4344000    
 O  -0.8282000       1.420700       1.185700    
 O   -3.545300      -1.867300       1.289300    
 O    1.240700     -7.1800001E-02  -1.907500    
 O    3.545100      -1.334500     -0.9381000    
 N   -3.220300      0.3425000      0.6861000    
 N  -0.5225000       1.876700      -1.077200    
 N    2.810200      0.8196000     -0.4321000    
 N    4.415500     -0.3878000       1.930600    
 C   -2.712200       1.310200     -0.2757000    
 C   -3.542600       2.565100     -3.1399999E-02
 C   -3.911400       2.466800       1.448000    
 C   -4.101000      0.9732000       1.663300    
 C   -1.264000       1.528700      4.2500000E-02
 C   -3.010100      -1.023800      0.5736000    
 C   -1.855700      -2.717400     -0.6273000    
 C   0.8879000       2.161800      -1.035400    
 C   -1.237700      -3.272500      0.6550000    
 C  -0.8734000      -2.833400      -1.790900    
 C   -3.165000      -3.433600     -0.9556000    
 C    1.276100       3.158100      -2.116500    
 C    1.646200      0.8509000      -1.204100    
 C    4.850600      1.0200000E-02  0.5941000    
 C    3.685100     -0.2665000     -0.3464000    
 C    6.091700     -0.7809000      0.1993000    
 C    5.473700     -0.1690000       2.905100    
 H   -2.836000      0.9318000      -1.296200    
 H   -3.016100       3.495500     -0.2648000    
 H   -4.458100       2.527500     -0.6343000    
 H   -4.804500       3.044100       1.702900    
 H   -3.083200       2.834800       2.064900    
 H   -3.845100      0.6425000       2.674000    
 H   -5.126000      0.6591000       1.438500    
 H  -0.9788000       1.882000      -1.985200    
 H    1.113800       2.591600     -5.2200001E-02
 H  -0.4703000      -2.593700       1.045400    
 H  -0.7615000      -4.241100      0.4610000    
 H   -1.950000      -3.451700       1.464200    
 H  -0.6566000      -3.878000      -2.037600    
 H   -1.266900      -2.337800      -2.685500    
 H   7.2600000E-02  -2.339800      -1.547700    
 H   -3.812500      -3.618400     -9.4899997E-02
 H   -2.962600      -4.421500      -1.386500    
 H   -3.751400      -2.863900      -1.685700    
 H    1.064400       2.762700      -3.116600    
 H   0.7195000       4.094500      -2.003500    
 H    2.346300       3.386300      -2.071700    
 H    3.036400       1.647800      0.1129000    
 H    5.086900       1.081400      0.5615000    
 H    5.965300      -1.856600      0.3702000    
 H    6.296900     -0.6530000     -0.8702000    
 H    6.986300     -0.4457000      0.7342000    
 H    3.604500      0.1723000       2.195000    
 H    5.058200     -0.2949000       3.910900    
 H    6.280400     -0.9027000       2.815900    
 H    5.885900      0.8440000       2.849500    


%chk=000128236-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128236

0 1
O -1.351865 -1.175321 -0.224742
O 0.298903 2.098148 0.522319
O -1.743092 -1.807327 2.038509
O 2.174098 0.505907 -3.302271
O 4.045553 -0.650556 -1.350026
N -2.009157 0.386899 1.295318
N -0.481058 1.796334 -1.643682
N 2.396385 0.995744 -0.990959
N 2.187353 -0.494349 1.513025
C -2.053390 1.391837 0.218859
C -2.746716 2.607749 0.909122
C -2.359312 2.454438 2.403452
C -2.376592 0.925286 2.628928
C -0.645901 1.770587 -0.281714
C -1.704247 -0.949623 1.114415
C -1.003698 -2.591427 -0.700062
C 0.757850 2.276977 -2.305654
C 0.167009 -3.160812 0.124115
C -0.594466 -2.341623 -2.161796
C -2.276172 -3.455900 -0.600241
C 0.457812 2.715697 -3.743616
C 1.859512 1.159848 -2.280278
C 3.493855 -0.010137 0.983245
C 3.370796 0.050216 -0.563576
C 4.654189 -0.937760 1.375460
C 2.123154 -0.750709 2.967855
H -2.646413 1.013114 -0.634676
H -2.430067 3.572702 0.479476
H -3.840406 2.513150 0.780074
H -3.056685 2.982089 3.075177
H -1.341241 2.846030 2.565266
H -1.653362 0.588221 3.390367
H -3.377439 0.556963 2.928413
H -1.192186 1.359097 -2.235173
H 1.122024 3.129194 -1.700285
H 0.987630 -2.426301 0.216176
H 0.558004 -4.060798 -0.385883
H -0.160750 -3.437514 1.138123
H -0.359727 -3.303617 -2.650837
H -1.416046 -1.860520 -2.722934
H 0.303406 -1.702567 -2.219263
H -2.599026 -3.552389 0.449032
H -2.065246 -4.466397 -0.995569
H -3.097313 -3.016629 -1.195142
H 0.162397 1.850458 -4.362508
H -0.340197 3.478247 -3.759449
H 1.363499 3.142195 -4.204700
H 1.915902 1.557726 -0.259183
H 3.732357 1.025932 1.347900
H 4.424335 -1.975230 1.080352
H 5.575046 -0.633314 0.850775
H 4.841390 -0.900351 2.462013
H 1.410953 0.118438 1.224667
H 1.081764 -1.011964 3.226171
H 2.755465 -1.613616 3.236686
H 2.438729 0.116727 3.597329


