%chk=000043323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043323

0 1
 O   -1.152600      0.7801000      -1.253200    
 O    5.784000      0.4902000     -0.1826000    
 O  -0.6426000      -1.201400     -0.2315000    
 N   -4.596500      0.5709000      4.7499999E-02
 N    1.002000      0.3756000     -0.7692000    
 C   -5.331300       1.568200      0.8330000    
 C   -4.808000     -0.8115000      0.4798000    
 C   -6.783600       1.244800       1.197100    
 C   -5.975800      -1.442100     -0.2840000    
 C   -7.575700      0.5426000      9.9200003E-02
 C   -7.369000     -0.9699000      0.1205000    
 C   -3.172400      0.9097000      2.1500001E-02
 C   -2.526600      0.4154000      -1.263200    
 C  -0.2824000     -0.1280000     -0.6992000    
 C    2.198700     -0.2266000     -0.3186000    
 C    3.415500      0.4370000     -0.4751000    
 C    4.596400     -0.1573000     -3.0300001E-02
 C    2.162900      -1.484800      0.2823000    
 C    6.952100     -0.1755000      0.2948000    
 C    8.160200      0.7162000      5.1500000E-02
 C    4.560400      -1.415600      0.5707000    
 C    3.343700      -2.079300      0.7270000    
 C    8.040400       2.041300      0.7824000    
 H   -5.335900       2.504400      0.2591000    
 H   -4.801800       1.782500       1.771600    
 H   -4.946700     -0.8896000       1.565300    
 H   -3.929600      -1.428800      0.2527000    
 H   -6.811700      0.6483000       2.117700    
 H   -7.283300       2.191900       1.437600    
 H   -5.838200      -1.278000      -1.361100    
 H   -5.934600      -2.529400     -0.1402000    
 H   -8.642100      0.7327000      0.2741000    
 H   -7.340500      0.9575000     -0.8877000    
 H   -8.096600      -1.430700     -0.5592000    
 H   -7.602100      -1.355600       1.121000    
 H   -3.030200       1.999500      4.4599999E-02
 H   -2.647900      0.5347000      0.9102000    
 H   -2.983900      0.9109000      -2.127600    
 H   -2.649100     -0.6616000      -1.424300    
 H    1.102600       1.292800      -1.197100    
 H    3.451400       1.418300     -0.9427000    
 H    6.876400     -0.3684000       1.372300    
 H    7.108000      -1.112500     -0.2538000    
 H    1.259500      -2.058200      0.4372000    
 H    8.257500      0.9197000      -1.021400    
 H    9.069700      0.1990000      0.3762000    
 H    5.437000      -1.938600      0.9371000    
 H    3.315800      -3.059500       1.194500    
 H    8.939600       2.644000      0.6186000    
 H    7.929500       1.887300       1.860600    
 H    7.182300       2.620900      0.4277000    


%chk=000043323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043323

0 1
O -1.105632 0.722896 -1.061638
O 5.800755 0.435733 -0.222838
O -0.678796 -1.358449 -0.030892
N -4.618502 0.572406 0.343733
N 1.031942 0.194465 -0.586255
C -5.414601 1.580051 1.080973
C -4.961325 -0.852669 0.588406
C -6.933459 1.282831 1.114753
C -5.984461 -1.391842 -0.440752
C -7.521707 0.713474 -0.202253
C -7.419328 -0.831164 -0.292192
C -3.173640 0.870709 0.317347
C -2.563407 0.428309 -1.026941
C -0.270611 -0.266789 -0.501085
C 2.221724 -0.451328 -0.151060
C 3.439053 0.237661 -0.363362
C 4.662492 -0.339274 0.045649
C 2.221590 -1.728297 0.474954
C 7.115545 -0.109040 0.168952
C 8.170245 0.928707 -0.225548
C 4.681916 -1.610503 0.673210
C 3.453829 -2.280986 0.874908
C 8.038750 2.254440 0.552877
H -5.249854 2.554497 0.578013
H -5.062340 1.701993 2.138550
H -5.341129 -1.008489 1.624990
H -4.032557 -1.449931 0.512050
H -7.162842 0.575326 1.936447
H -7.441594 2.230794 1.380529
H -5.594125 -1.145470 -1.447506
H -6.024088 -2.498795 -0.365763
H -8.592587 0.992098 -0.265668
H -7.014012 1.176725 -1.070746
H -8.026150 -1.189064 -1.148480
H -7.885466 -1.260888 0.619952
H -3.033331 1.962270 0.423482
H -2.612273 0.383427 1.149536
H -2.986899 1.008253 -1.860864
H -2.712846 -0.652227 -1.197648
H 1.129240 1.114930 -1.020369
H 3.463252 1.221678 -0.845275
H 7.129223 -0.292116 1.264191
H 7.285065 -1.071097 -0.357530
H 1.280953 -2.257450 0.634324
H 8.089037 1.116986 -1.312882
H 9.168574 0.480425 -0.049440
H 5.617454 -2.073513 0.997384
H 3.459810 -3.264519 1.358181
H 8.798239 2.985291 0.221567
H 8.173606 2.094072 1.639348
H 7.040170 2.696954 0.396082


