%chk=000004658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004658

0 1
 I   0.8380000       5.495100      7.2200000E-02
 O    4.601100       1.260200      0.2283000    
 O   -4.763400       1.448400     -0.5069000    
 N   0.2743000      -1.343300     -0.1159000    
 N    3.121400      -1.130700     -2.3900000E-02
 N   -3.275400     -0.2744000      0.2187000    
 N   -3.832600      -2.549800     -0.1048000    
 C   0.9129000     -0.1910000      0.5313000    
 C    1.089200      -1.793600      -1.251000    
 C    2.306700     -0.5537000       1.049900    
 C    2.488100      -2.210600     -0.7913000    
 C   -1.076400     -0.9996000     -0.5588000    
 C   -1.939200     -0.6071000      0.6316000    
 C    4.516100      -1.134300      8.8399999E-02
 C    5.251400      6.2399998E-02  0.2144000    
 C    5.230600      -2.349600      7.9200000E-02
 C   -4.284200      -1.338000      0.1653000    
 C   -3.656400       1.054800     -0.1416000    
 C    6.641600      4.4100001E-02  0.3263000    
 C    6.620900      -2.367900      0.1909000    
 C    7.326500      -1.171100      0.3145000    
 C   -2.607500       2.091200     -9.1799997E-02
 C   -5.556100     -0.9316000      0.4012000    
 C    4.394600       1.899400      -1.029400    
 C   -1.843800       2.335200      -1.220400    
 C   -2.409500       2.797200       1.082600    
 C   -6.520300      -1.932300      0.3523000    
 C   -4.797900      -3.495600     -0.1443000    
 C   -6.142200      -3.241400      7.4900001E-02
 C  -0.8519000       3.315000      -1.173100    
 C   -1.417700       3.776900       1.129700    
 C  -0.6390000       4.035800      1.8000000E-03
 H   0.9876000      0.6568000     -0.1626000    
 H   0.3704000      0.1499000       1.415800    
 H   0.6168000      -2.656800      -1.735300    
 H    1.173300      -1.000400      -2.006400    
 H    2.223300      -1.286000       1.863900    
 H    2.758300      0.3442000       1.482700    
 H    3.076700      -2.452700      -1.685300    
 H    2.415200      -3.115300     -0.1740000    
 H   -1.518400      -1.872700      -1.053300    
 H   -1.047900     -0.2104000      -1.315100    
 H   -1.547000      0.2416000       1.188300    
 H   -1.985400      -1.430300       1.357400    
 H    4.719700      -3.305900      1.7000000E-03
 H    7.197900      0.9725000      0.4240000    
 H    7.154300      -3.314000      0.1857000    
 H    8.408900      -1.185400      0.4027000    
 H   -5.879700      4.7100000E-02  0.7228000    
 H    3.794000       1.267500      -1.691400    
 H    3.853100       2.833000     -0.8537000    
 H    5.353400       2.134400      -1.502100    
 H   -2.011600       1.788100      -2.143600    
 H   -3.012100       2.600500       1.964700    
 H   -7.561400      -1.698100      0.5537000    
 H   -4.451000      -4.500200     -0.3630000    
 H   -6.875800      -4.038600      3.7500001E-02
 H  -0.2578000       3.501900      -2.064100    
 H   -1.268200       4.326600       2.055600    


%chk=000004658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004658

0 1
I -0.558772 6.430591 2.059493
O 5.028933 1.027982 -0.919648
O -4.434179 1.458924 -1.231267
N 0.385652 -1.110709 -0.122866
N 3.279031 -1.181859 -0.176333
N -3.275087 -0.089290 0.126553
N -3.698628 -2.411013 0.238196
C 1.173430 0.139622 -0.244219
C 1.114228 -2.240121 -0.744343
C 2.553017 -0.019364 0.410726
C 2.490562 -2.428873 -0.081409
C -1.015366 -0.972381 -0.571789
C -1.897561 -0.449400 0.589260
C 4.684983 -1.253765 0.037599
C 5.541704 -0.160168 -0.326561
C 5.310082 -2.410081 0.587629
C -4.204485 -1.171371 -0.037524
C -3.540722 1.211980 -0.362689
C 6.927229 -0.208432 -0.082897
C 6.704772 -2.466328 0.799801
C 7.521947 -1.358597 0.484492
C -2.757473 2.360196 0.223863
C -5.571020 -0.977616 -0.393877
C 4.541703 0.845053 -2.304627
C -2.339679 3.401467 -0.641025
C -2.568926 2.507292 1.622446
C -6.414670 -2.103658 -0.436059
C -4.533038 -3.485765 0.185303
C -5.900504 -3.389726 -0.143133
C -1.704620 4.553870 -0.130694
C -1.956321 3.664690 2.149127
C -1.515807 4.674831 1.264685
H 1.306841 0.425715 -1.319423
H 0.634158 0.964953 0.256182
H 0.520982 -3.162898 -0.610296
H 1.266772 -2.081450 -1.842589
H 2.416829 -0.174023 1.505170
H 3.153351 0.890369 0.253625
H 3.030746 -3.238943 -0.603377
H 2.336978 -2.735263 0.980285
H -1.401554 -1.959377 -0.878088
H -1.108606 -0.285090 -1.449238
H -1.429233 0.440855 1.029512
H -1.974036 -1.232895 1.356544
H 4.695377 -3.265610 0.883665
H 7.524884 0.664345 -0.366684
H 7.146520 -3.371735 1.231168
H 8.601646 -1.389996 0.663744
H -5.944761 0.013593 -0.646262
H 3.739516 0.084649 -2.341415
H 4.157055 1.828802 -2.615872
H 5.377533 0.541850 -2.963908
H -2.530977 3.310192 -1.715084
H -2.925940 1.731677 2.309372
H -7.469030 -1.974140 -0.702209
H -4.073026 -4.453435 0.416278
H -6.531195 -4.282803 -0.173122
H -1.374304 5.345431 -0.808954
H -1.830439 3.774645 3.229660


