%chk=000050753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050753

0 1
 O   0.4523000     -0.3458000     -0.1647000    
 O    1.385900      -2.294400     -0.9588000    
 N   -3.224000     -0.3846000     -0.1923000    
 N    6.447000       1.383000      0.4234000    
 C   -4.260000      0.5940000      0.1435000    
 C   -1.901200      0.1558000      7.6099999E-02
 C   -5.652800      3.0000001E-04 -0.1370000    
 C   -4.075900       1.902800     -0.6476000    
 C   -1.742500      0.5249000       1.563200    
 C  -0.8538000     -0.8765000     -0.3541000    
 C   -5.926200      -1.287100      0.6314000    
 C   -4.158600       1.722800      -2.158000    
 C   -1.915800     -0.6576000       2.508800    
 C    1.485000      -1.163300     -0.5090000    
 C    2.788200     -0.4957000     -0.2633000    
 C    3.865700     -0.8221000      -1.061200    
 C    2.881600      0.4314000      0.7546000    
 C    5.089800     -0.1941000     -0.8312000    
 C    4.105600       1.059500      0.9845000    
 C    5.209700      0.7467000      0.1916000    
 H   -4.258400      0.8233000       1.213900    
 H   -1.683800       1.047600     -0.5208000    
 H   -3.302100     -0.6663000      -1.168100    
 H   -6.422100      0.7361000      0.1279000    
 H   -5.782600     -0.2266000      -1.200900    
 H   -3.155400       2.430200     -0.3794000    
 H   -4.878600       2.593200     -0.3540000    
 H  -0.7342000      0.9303000       1.720400    
 H   -2.406800       1.341900       1.861900    
 H  -0.9814000      -1.098600      -1.422200    
 H  -0.9582000      -1.818900      0.1963000    
 H   -5.258800      -2.095700      0.3182000    
 H   -5.803000      -1.133700       1.708300    
 H   -6.954400      -1.618600      0.4533000    
 H   -3.396000       1.038000      -2.538600    
 H   -5.141900       1.374400      -2.483800    
 H   -3.992100       2.690100      -2.645300    
 H   -1.135800      -1.411200       2.369500    
 H   -1.841700     -0.3101000       3.545100    
 H   -2.892200      -1.137000       2.394000    
 H    3.783700      -1.550000      -1.862900    
 H    2.041000      0.6825000       1.394500    
 H    5.942600     -0.4455000      -1.456600    
 H    4.187200       1.789000       1.786400    
 H    6.534900       2.063600       1.166300    
 H    7.248500       1.155200     -0.1497000    


%chk=000050753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050753

0 1
O 0.485674 -0.274275 -0.102024
O 1.367178 -2.167927 -1.142240
N -3.222483 -0.279563 -0.205319
N 6.704747 1.267417 0.320061
C -4.406284 0.560029 0.114110
C -1.876950 0.212831 0.181045
C -5.684857 -0.206158 -0.312718
C -4.356426 2.004546 -0.481702
C -1.764816 0.464993 1.709392
C -0.869860 -0.841536 -0.309138
C -5.936707 -1.478254 0.523498
C -4.284767 2.064871 -2.023671
C -2.120135 -0.748487 2.595378
C 1.553173 -1.058981 -0.574348
C 2.865963 -0.425438 -0.324955
C 4.039738 -1.106114 -0.749959
C 3.001813 0.834173 0.320508
C 5.310203 -0.553023 -0.540189
C 4.268406 1.397399 0.535836
C 5.447274 0.712629 0.108712
H -4.442792 0.666737 1.218102
H -1.609871 1.173879 -0.325975
H -3.245126 -0.581676 -1.190044
H -6.551525 0.479162 -0.226524
H -5.608812 -0.478286 -1.386237
H -3.480264 2.536342 -0.058359
H -5.251113 2.556415 -0.128578
H -0.727535 0.792366 1.912053
H -2.417463 1.319955 1.975553
H -1.001165 -1.060601 -1.386942
H -0.962631 -1.791060 0.245337
H -5.057037 -2.144090 0.482493
H -6.117889 -1.222648 1.584899
H -6.817853 -2.035199 0.154831
H -3.401567 1.518971 -2.407488
H -5.184272 1.626351 -2.492427
H -4.201992 3.110232 -2.372549
H -1.389359 -1.568823 2.476639
H -2.125078 -0.462605 3.663278
H -3.115351 -1.147383 2.332513
H 3.926321 -2.075660 -1.246655
H 2.101249 1.361710 0.647410
H 6.206047 -1.090485 -0.873945
H 4.359277 2.369869 1.034977
H 6.807677 2.167319 0.780473
H 7.545639 0.783277 0.018489


