%chk=000169625.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169625

0 1
 O    3.773400       1.623900     -2.8999999E-02
 O   -3.752400       1.608900      5.5599999E-02
 N    5.017700     -0.3318000      4.8700001E-02
 N   -5.018400     -0.3342000      3.5100002E-02
 C   1.5799999E-02 -0.4188000     -0.1208000    
 C    1.281600      0.4392000     -6.9300003E-02
 C   -1.276700      0.4019000     -0.1044000    
 C    2.539100     -0.4316000     -1.5799999E-02
 C   -2.542600     -0.4578000     -8.2500003E-02
 C    3.821000      0.3914000       0.000000    
 C   -3.814000      0.3774000      9.8000001E-03
 C    6.325800      0.3189000      6.9300003E-02
 C    5.049700      -1.788800      8.2300000E-02
 C   -5.141000      -1.789400     -1.6899999E-02
 C   -6.278900      0.3908000      0.1378000    
 H   3.4400001E-02  -1.042200      -1.023300    
 H   1.1800000E-02  -1.103400      0.7366000    
 H    1.249200       1.093000      0.8111000    
 H    1.315800       1.093500     -0.9492000    
 H   -1.297500       1.061700     -0.9810000    
 H   -1.269700       1.056900      0.7762000    
 H    2.504400      -1.044700      0.8918000    
 H    2.553700      -1.082300     -0.8974000    
 H   -2.581400      -1.058100     -0.9983000    
 H   -2.505700      -1.127700      0.7840000    
 H    6.849500      3.0999999E-02  0.9852000    
 H    6.222800       1.406500      4.2199999E-02
 H    6.897500     -8.8999998E-03 -0.8036000    
 H    5.567700      -2.099700      0.9951000    
 H    5.618300      -2.139800     -0.7847000    
 H    4.074300      -2.271400      6.5399997E-02
 H   -5.632700      -2.128600      0.8998000    
 H   -4.183300      -2.300800     -0.1070000    
 H   -5.760200      -2.055300     -0.8789000    
 H   -6.127400       1.472500      0.1712000    
 H   -6.791600      7.7100001E-02   1.051900    
 H   -6.897300      0.1468000     -0.7310000    


%chk=000169625-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169625

0 1
O 3.794040 1.607029 0.027037
O -3.786897 1.635868 0.014930
N 5.063383 -0.339863 0.008794
N -5.071300 -0.301122 -0.005043
C -0.004520 -0.498831 -0.003742
C 1.283278 0.353949 0.004695
C -1.285950 0.363503 0.001324
C 2.557265 -0.514317 -0.000049
C -2.566542 -0.495011 -0.004807
C 3.840201 0.335836 0.012623
C -3.842917 0.365023 0.002701
C 6.312571 0.439994 0.021073
C 5.228359 -1.798650 -0.007134
C -5.247798 -1.758651 -0.013322
C -6.314403 0.488506 0.004718
H -0.005773 -1.158935 -0.898204
H -0.008214 -1.172596 0.880506
H 1.295430 1.015294 0.890853
H 1.298039 1.028666 -0.871307
H -1.294109 1.037399 -0.875390
H -1.294714 1.025916 0.886766
H 2.548793 -1.188887 0.881081
H 2.554517 -1.171012 -0.894620
H -2.566229 -1.153883 -0.897756
H -2.565563 -1.167515 0.877986
H 6.915059 0.199398 0.918758
H 6.048788 1.508302 0.033523
H 6.918962 0.221333 -0.879595
H 5.787286 -2.138100 0.888173
H 5.798367 -2.116870 -0.903224
H 4.257194 -2.311957 -0.019396
H -5.800003 -2.090929 0.888899
H -4.280839 -2.279504 -0.034305
H -5.829454 -2.075058 -0.902359
H -6.042379 1.554769 0.012140
H -6.918080 0.256891 0.904048
H -6.923147 0.270114 -0.894374


