%chk=000133108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133108

0 1
 I    5.599500     -0.1812000      -1.636900    
 O  -0.7027000      -1.866600     -0.7053000    
 O    2.260800      -3.668800      0.4065000    
 N   -3.796900       1.439900      0.3799000    
 N    2.545400     -0.8364000      0.2790000    
 C   -2.361100     -0.1903000     -0.1232000    
 C   -1.722300       1.070200     -0.3492000    
 C   -3.653600      7.3299997E-02  0.3310000    
 C   -2.643200       2.067400     -2.6500000E-02
 C   -1.956600      -1.534500     -0.2638000    
 C    1.445000      -2.916800     -0.4965000    
 C   0.1037000      -2.637000      0.1779000    
 C    2.205700      -1.646300     -0.8830000    
 C   -4.564300     -0.9396000      0.6526000    
 C  -0.4419000       1.454900     -0.7998000    
 C   -2.856200      -2.558400      5.3900000E-02
 C   -2.349300       3.431900     -0.1311000    
 C   -4.140300      -2.263000      0.5052000    
 C    3.257500      0.3077000      0.2000000    
 C  -0.1332000       2.815400     -0.9094000    
 C   -1.074300       3.787600     -0.5794000    
 C    3.613900       1.063400       1.270500    
 C    3.675400      0.6548000      -1.218900    
 C    3.225600      0.7632000       2.698900    
 C    4.463500       2.309300       1.167600    
 H    1.279500      -3.521000      -1.396400    
 H   -4.636900       1.918400      0.6748000    
 H   0.2378000      -2.105800       1.128300    
 H  -0.3703000      -3.597500      0.4131000    
 H    1.589900      -1.087900      -1.594600    
 H    3.118600      -1.971400      -1.391200    
 H   -5.565100     -0.7102000       1.003000    
 H   0.3010000      0.7144000      -1.069000    
 H   -2.575400      -3.601600     -6.5200001E-02
 H   -3.081800       4.189700      0.1257000    
 H   -4.825600      -3.072600      0.7423000    
 H    2.286700      -1.187700       1.192400    
 H   0.8522000       3.114300      -1.256900    
 H  -0.8147000       4.839000     -0.6717000    
 H    3.094500      -3.871400     -5.1199999E-02
 H    2.953300      0.3760000      -1.989800    
 H    3.729300       1.742500      -1.342400    
 H    2.525600     -6.8300001E-02   2.803900    
 H    4.117200      0.5226000       3.287300    
 H    2.743100       1.638900       3.146900    
 H    4.889700       2.501000      0.1827000    
 H    5.310000       2.238600       1.860300    
 H    3.869200       3.186500       1.445700    


%chk=000133108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133108

0 1
I 5.790012 -0.706485 -2.072385
O -0.679716 -1.975994 -0.675844
O 2.093867 -3.304540 1.330343
N -3.964294 1.340520 0.301246
N 2.721328 -0.814408 0.209751
C -2.425061 -0.312537 -0.146133
C -1.703904 0.937683 0.067291
C -3.828340 -0.023835 -0.001317
C -2.695778 1.944020 0.344876
C -2.045083 -1.638771 -0.468973
C 1.411839 -2.886968 0.083862
C 0.064290 -2.326396 0.554980
C 2.271766 -1.871937 -0.699041
C -4.827636 -1.006596 -0.165236
C -0.336347 1.304691 0.044466
C -3.030546 -2.631038 -0.646160
C -2.352043 3.288355 0.597529
C -4.407491 -2.313316 -0.494149
C 3.419814 0.347652 -0.181371
C 0.013937 2.649119 0.293536
C -0.981687 3.627973 0.567479
C 3.691438 1.347103 0.747440
C 3.830392 0.460757 -1.599525
C 3.133750 1.235143 2.154125
C 4.600205 2.529394 0.486974
H 1.218872 -3.759448 -0.572554
H -4.848452 1.821284 0.448643
H 0.203549 -1.432934 1.193352
H -0.482285 -3.102043 1.124104
H 1.638008 -1.464039 -1.509733
H 3.124372 -2.408102 -1.175424
H -5.890518 -0.769704 -0.050818
H 0.440643 0.563404 -0.164489
H -2.716549 -3.644901 -0.913974
H -3.115015 4.046166 0.806826
H -5.156231 -3.099984 -0.637958
H 2.829252 -1.130077 1.177192
H 1.069991 2.939555 0.271909
H -0.681464 4.664748 0.757015
H 2.873929 -3.869807 1.099288
H 3.151774 -0.017875 -2.317069
H 4.086513 1.476206 -1.917859
H 2.090196 0.866676 2.149396
H 3.726099 0.534410 2.783009
H 3.151638 2.213686 2.665410
H 5.105211 2.499890 -0.491707
H 5.396839 2.571542 1.257789
H 4.046818 3.488357 0.561889


