%chk=000004532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004532

0 1
 O    5.948400     -0.5108000      0.6555000    
 O    4.173300     -0.6840000       1.949100    
 O    1.415700       1.600000       2.010700    
 O   -1.716100      -1.453200     -0.7888000    
 N    4.744800     -0.7302000      0.8507000    
 N   -1.627800      0.8652000     -0.7750000    
 N   0.4885000       1.852800      0.9985000    
 N   -5.413500      0.8481000      0.9832000    
 C    3.911400      -1.054800     -0.3316000    
 C    2.881900      5.8200002E-02 -0.4319000    
 C    3.353300       1.304700      -1.165700    
 C    1.644300     -6.6000000E-02  8.7600000E-02
 C    3.426100      -2.485900     -0.1288000    
 C   0.6067000       1.003300      2.0199999E-02
 C    3.078700       1.240000      -2.662500    
 C  -0.2692000      0.9895000      -1.216000    
 C   -2.252300     -0.3655000     -0.5939000    
 C   -3.672000     -0.3240000     -0.1580000    
 C   -4.515000      -1.361700     -0.4741000    
 C   -4.134700      0.7479000      0.5566000    
 C   -5.838300      -1.294800     -5.2600000E-02
 C   -6.234300     -0.1786000      0.6667000    
 H    4.562000      -1.038000      -1.214500    
 H    4.425900       1.457100     -0.9966000    
 H    2.867400       2.197500     -0.7547000    
 H    1.323200     -0.9648000      0.6029000    
 H    2.778500      -2.790300     -0.9586000    
 H    4.273400      -3.181600     -0.1011000    
 H    2.865800      -2.629600      0.8019000    
 H    2.011600       1.148100      -2.879300    
 H    3.591800      0.3884000      -3.121300    
 H    3.441200       2.151300      -3.149200    
 H  -1.1200000E-02  0.1635000      -1.884700    
 H  -0.1620000       1.941800      -1.742800    
 H   -2.144500       1.728700     -0.6480000    
 H   -4.181000      -2.223700      -1.043100    
 H   -3.513700       1.581100      0.8644000    
 H   -6.538100      -2.090500     -0.2808000    
 H   -7.255900     -7.8100003E-02   1.018000    
 H    1.204500       2.302000       2.649100    


%chk=000004532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004532

0 1
O 4.884457 -1.071645 1.501046
O 2.800133 -1.443628 2.343997
O 2.062082 3.195617 0.566275
O -1.608391 -0.903328 -1.829719
N 3.617685 -1.263893 1.373798
N -1.724497 1.189799 -0.818803
N 0.919951 3.087039 -0.338561
N -4.760434 -0.337300 1.833975
C 3.042544 -1.238525 -0.091661
C 2.653035 0.218176 -0.384363
C 3.817152 1.125570 -0.739719
C 1.327458 0.559915 -0.409526
C 1.961583 -2.316027 -0.215308
C 0.678429 1.845089 -0.729179
C 4.131602 1.075846 -2.262408
C -0.597098 1.755247 -1.581289
C -2.155814 -0.116598 -0.990699
C -3.320334 -0.557646 -0.142373
C -4.052712 -1.699067 -0.557387
C -3.707036 0.072535 1.070319
C -5.143204 -2.136337 0.220046
C -5.467608 -1.421931 1.398009
H 3.932580 -1.494513 -0.693318
H 4.715503 0.801694 -0.179493
H 3.593887 2.160517 -0.436947
H 0.593073 -0.245493 -0.279253
H 1.508578 -2.275855 -1.220487
H 2.401096 -3.317544 -0.068677
H 1.169276 -2.181878 0.538362
H 3.272909 1.438220 -2.855466
H 4.369014 0.049352 -2.600159
H 5.003502 1.714297 -2.492199
H -0.431941 1.092669 -2.447411
H -0.861654 2.766589 -1.933274
H -2.198602 1.802174 -0.153473
H -3.744442 -2.213836 -1.472889
H -3.145463 0.920158 1.484726
H -5.732951 -3.010092 -0.073157
H -6.314349 -1.721775 2.025399
H 2.049801 4.159509 0.802745


