%chk=000055717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055717

0 1
 O    2.120300       1.450400      0.4762000    
 O   -8.013800      -1.040200      -1.157900    
 O    8.097600      0.2221000      -1.155900    
 N   -9.273200     -0.5333000      -1.454100    
 N    7.933500      -1.410200      0.4364000    
 C   -2.675700      0.3847000      0.2413000    
 C   -3.776600     -0.5882000      0.6691000    
 C   -1.306000     -6.6600002E-02  0.7509000    
 C   -5.151600     -0.1166000      0.1857000    
 C  -0.2118000      0.9215000      0.3526000    
 C   -6.286800      -1.074700      0.5637000    
 C    1.147900      0.5018000      0.8926000    
 C   -7.639200     -0.6168000      7.6499999E-02
 C   -8.626100      0.1661000      0.6145000    
 C    3.400600      0.9906000      0.3075000    
 C   -9.618400      0.1837000     -0.3808000    
 C    6.007500      5.7700001E-02 -3.3100002E-02
 C    3.866000     -7.5400002E-02   1.077500    
 C    4.238600       1.590200     -0.6327000    
 C    7.381600     -0.4337000     -0.2119000    
 C    5.169400     -0.5418000      0.9072000    
 C    5.542000       1.123700     -0.8029000    
 C    9.282500     -0.5449000      -1.300600    
 C    9.308800      -1.425600     -7.3500000E-02
 C   -10.91710      0.8755000     -0.3482000    
 H   -2.900100       1.385300      0.6306000    
 H   -2.654900      0.4604000     -0.8527000    
 H   -3.566400      -1.584400      0.2617000    
 H   -3.787000     -0.6799000       1.761800    
 H   -1.072000      -1.059300      0.3477000    
 H   -1.334700     -0.1599000       1.843400    
 H   -5.362200      0.8770000      0.6021000    
 H   -5.130800      3.5000001E-03 -0.9053000    
 H  -0.4529000       1.926000      0.7225000    
 H  -0.1599000       1.009000     -0.7400000    
 H   -6.326600      -1.184200       1.654400    
 H   -6.081400      -2.071000      0.1533000    
 H    1.367700     -0.5009000      0.5032000    
 H    1.124000      0.4695000       1.988100    
 H   -8.624900      0.6499000       1.580100    
 H    3.255800     -0.5514000       1.839200    
 H    3.880900       2.421000      -1.234700    
 H    5.512700      -1.369300       1.522300    
 H    6.166600       1.614600      -1.544000    
 H    10.15620      0.1107000      -1.358000    
 H    9.214700      -1.128400      -2.224800    
 H    9.636700      -2.441200     -0.3146000    
 H    9.983100      -1.021400      0.6896000    
 H   -11.05580       1.418600      0.5923000    
 H   -11.73980      0.1597000     -0.4460000    
 H   -10.99120       1.599000      -1.166700    


%chk=000055717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055717

0 1
O 2.126859 0.710614 -0.641793
O -8.206082 -0.545646 -0.894064
O 8.561390 0.607786 -0.705148
N -9.568171 -0.037833 -1.141912
N 8.272546 -1.154827 0.799253
C -2.804562 0.190869 -0.100304
C -3.969184 -0.532335 0.612053
C -1.413699 -0.316122 0.343000
C -5.355343 -0.028259 0.155653
C -0.257627 0.429888 -0.361671
C -6.515113 -0.753726 0.893290
C 1.113355 -0.091048 0.073235
C -7.875774 -0.309239 0.448083
C -8.945429 0.318291 1.065755
C 3.477229 0.416658 -0.421314
C -9.962840 0.464921 0.054037
C 6.262466 -0.011968 -0.121894
C 3.946222 -0.611217 0.440115
C 4.400940 1.227591 -1.129724
C 7.702600 -0.248956 0.044338
C 5.331657 -0.817248 0.582375
C 5.780571 1.014637 -0.980649
C 9.956022 0.171373 -0.371960
C 9.753946 -1.008418 0.639087
C -11.330629 1.082894 0.190715
H -2.875733 1.281192 0.093244
H -2.908628 0.061837 -1.197313
H -3.894458 -1.623796 0.423156
H -3.868504 -0.397252 1.709633
H -1.339247 -1.404034 0.134894
H -1.316436 -0.199910 1.442894
H -5.435274 1.062346 0.334712
H -5.471734 -0.180810 -0.934217
H -0.315087 1.512658 -0.139426
H -0.349553 0.321740 -1.459343
H -6.431749 -0.581541 1.982239
H -6.413428 -1.845342 0.730068
H 1.234715 -1.162591 -0.189865
H 1.255720 0.025135 1.168124
H -9.010602 0.636870 2.103271
H 3.249718 -1.246237 0.994779
H 4.012485 2.012010 -1.785990
H 5.713754 -1.604383 1.240218
H 6.497949 1.636242 -1.523876
H 10.479473 1.040073 0.060051
H 10.440732 -0.132233 -1.314445
H 10.176917 -1.958326 0.265924
H 10.208903 -0.800245 1.624121
H -11.491641 1.443625 1.219446
H -12.121677 0.350792 -0.048059
H -11.450161 1.936399 -0.499197


