%chk=000006759.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006759

0 1
 O   0.8006000       2.051700      -1.511300    
 O    2.951400       3.003900      4.9899999E-02
 O    4.215500     -0.3501000     -0.6636000    
 O    6.287600      0.6001000      0.9053000    
 O   -5.108100      0.4412000     -0.2280000    
 O   -2.628200       4.260800      0.3914000    
 N  -0.3116000      0.2155000      0.3310000    
 N   -2.836100      -1.005000     -7.4100003E-02
 N   -1.491700       2.289200      0.3625000    
 N   -3.870500       2.387400      8.4500000E-02
 C    1.652200       1.143100     -0.8118000    
 C    1.007200      0.8113000      0.5390000    
 C    3.051900       1.772200     -0.6635000    
 C    4.049500      0.8611000      7.6499999E-02
 C  -0.3958000      -1.188600      0.2047000    
 C   -1.461300      0.9932000      0.2581000    
 C   -1.663300      -1.772300      3.5000001E-03
 C   0.7202000      -2.044100      0.2683000    
 C   -2.768500      0.2816000      4.1200001E-02
 C    5.419400       1.516500      0.2458000    
 C   0.5843000      -3.428500      0.1367000    
 C   -1.788700      -3.163900     -0.1275000    
 C  -0.6704000      -3.989000     -6.1400000E-02
 C   -4.056500       1.032200     -5.1800001E-02
 C    1.804800      -4.286800      0.2130000    
 C  -0.8440000      -5.465000     -0.2034000    
 C   -2.649800       3.032400      0.2852000    
 H    1.715400      0.2407000      -1.429600    
 H    1.632700      0.2009000       1.193300    
 H   0.8764000       1.745100       1.102400    
 H    3.437500       2.008100      -1.663200    
 H    3.699400      0.5941000       1.078700    
 H    1.720500      -1.656500      0.4196000    
 H    5.868700       1.758600     -0.7229000    
 H    5.364600       2.426800      0.8492000    
 H   -2.776300      -3.594500     -0.2822000    
 H    1.212700       2.235300      -2.372700    
 H    2.310700       3.562200     -0.4228000    
 H    3.390600     -0.8569000     -0.6035000    
 H    2.713000      -3.693200      0.3659000    
 H    1.732100      -4.986100       1.052200    
 H    1.940500      -4.847500     -0.7175000    
 H   -1.894700      -5.738100     -0.3515000    
 H  -0.2890000      -5.837100      -1.070600    
 H  -0.5006000      -5.982500      0.6982000    
 H   -4.697500       2.975500      3.4299999E-02
 H    6.325400     -0.2068000      0.3637000    


%chk=000006759-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006759

0 1
O 0.837931 1.768888 -1.845947
O 2.917692 3.023216 -0.539643
O 3.869771 -0.466906 0.142457
O 6.114857 0.609644 1.133182
O -5.236833 0.686430 -0.087690
O -2.544100 4.353566 0.896582
N -0.389990 0.217459 0.301627
N -2.930221 -1.018344 -0.051375
N -1.428056 2.308225 0.612207
N -3.830757 2.488300 0.380688
C 1.661807 0.933065 -0.941595
C 0.924102 0.895580 0.409376
C 3.057658 1.599408 -0.839536
C 3.942820 1.003398 0.262935
C -0.462134 -1.175588 0.140395
C -1.554459 1.006600 0.357995
C -1.761877 -1.773320 -0.030927
C 0.685090 -2.013592 0.148930
C -2.824984 0.295610 0.135251
C 5.401893 1.454063 0.151265
C 0.561039 -3.408856 -0.005711
C -1.864654 -3.183701 -0.188752
C -0.736237 -4.014198 -0.179688
C -4.076900 1.128883 0.124042
C 1.807535 -4.270591 0.014873
C -0.876068 -5.514444 -0.347501
C -2.567385 3.118442 0.648915
H 1.786410 -0.084022 -1.354123
H 1.537349 0.365684 1.155690
H 0.719480 1.922299 0.753392
H 3.555239 1.461123 -1.827725
H 3.555002 1.321659 1.251922
H 1.687735 -1.592588 0.280552
H 5.787983 1.266335 -0.872276
H 5.480215 2.530151 0.392955
H -2.872602 -3.590988 -0.315192
H 0.970896 1.481581 -2.783843
H 2.118643 3.340805 -1.043347
H 4.660383 -0.810358 0.641778
H 2.717555 -3.659071 0.127011
H 1.777775 -4.999961 0.847156
H 1.904058 -4.861202 -0.916192
H -1.934410 -5.806043 -0.446839
H -0.340060 -5.876037 -1.246033
H -0.454115 -6.062280 0.516570
H -4.647354 3.109152 0.395394
H 7.074477 0.840723 1.161996


