%chk=000048157.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048157

0 1
 O  -8.7700002E-02  0.1686000       2.222600    
 O  -0.1794000      -1.110800      -2.374200    
 O   -3.490000       1.510100     -0.6497000    
 N   -1.750600      0.9361000      0.7961000    
 N   -1.805600      0.2027000      -1.449500    
 C   0.1536000     -0.3784000     -0.1006000    
 C   0.6545000      -1.777500      0.2897000    
 C    1.317000      0.5329000     -0.3822000    
 C  -0.5644000      0.2454000       1.085700    
 C  -0.6102000     -0.4873000      -1.402400    
 C  -0.5065000      -2.750800      0.4333000    
 C    2.580500      9.5700003E-02 -0.2213000    
 C   0.9300000       1.914900     -0.8267000    
 C   -2.418900      0.9340000     -0.4398000    
 C  -1.2800000E-02  -4.129000      0.8430000    
 C    3.854200      0.8470000     -0.4825000    
 C   -2.381800       1.648700       1.902900    
 C    4.317900       1.597800      0.7556000    
 H    1.203900      -1.768900       1.241000    
 H    1.313300      -2.201700     -0.4815000    
 H   -1.061800      -2.857800     -0.5045000    
 H   -1.216800      -2.397500       1.189400    
 H    2.813200     -0.8984000      0.1425000    
 H   -2.303700      0.1671000      -2.334700    
 H   0.3973000       1.902100      -1.781900    
 H   0.3179000       2.430800     -8.2199998E-02
 H    1.804900       2.554600     -0.9778000    
 H   0.6710000      -4.541400      9.4099998E-02
 H   0.5110000      -4.090500       1.803600    
 H  -0.8568000      -4.818300      0.9461000    
 H    3.736200       1.543700      -1.319100    
 H    4.628600      0.1350000     -0.7924000    
 H   -2.895800      0.9142000       2.531000    
 H   -3.105200       2.388200       1.550200    
 H   -1.620200       2.152300       2.506300    
 H    5.259600       2.117200      0.5510000    
 H    3.581300       2.345800       1.067800    
 H    4.485400      0.9136000       1.594300    


%chk=000048157-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048157

0 1
O -0.139692 0.396062 2.162566
O -0.143563 -1.036268 -2.492201
O -3.740339 1.235590 -0.680531
N -1.911287 0.853002 0.750426
N -1.887733 0.116065 -1.519207
C 0.185169 -0.298233 -0.164742
C 0.618417 -1.731231 0.286010
C 1.377740 0.669324 -0.454873
C -0.619814 0.327693 1.001166
C -0.602799 -0.449225 -1.479742
C -0.562231 -2.692944 0.555627
C 2.665942 0.281699 -0.252967
C 0.961066 2.039997 -0.963865
C -2.586750 0.771394 -0.488632
C -0.064028 -4.081576 1.009990
C 3.927205 1.093703 -0.463912
C -2.615694 1.497486 1.886361
C 4.750523 1.227688 0.844802
H 1.218076 -1.627015 1.207914
H 1.258582 -2.154320 -0.509182
H -1.174532 -2.808412 -0.360765
H -1.223873 -2.270749 1.338616
H 2.857150 -0.732477 0.120981
H -2.401236 0.037761 -2.403821
H 0.456586 1.970426 -1.947433
H 0.256088 2.536437 -0.268367
H 1.823999 2.711580 -1.087435
H 0.573733 -4.545977 0.234898
H 0.533048 -4.002908 1.937678
H -0.908426 -4.766222 1.207704
H 3.705886 2.098234 -0.865768
H 4.552561 0.583837 -1.225926
H -2.786163 0.761492 2.688788
H -3.573578 1.886546 1.514253
H -1.995033 2.312549 2.291225
H 5.691174 1.778917 0.663085
H 4.174814 1.766740 1.618007
H 5.012115 0.233535 1.252470


