%chk=000030690.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030690

0 1
 O    4.527100      0.3859000     -1.7600000E-02
 O    4.027200       1.098500      -2.131500    
 O    6.471600      0.9603000       1.969900    
 O   -3.878900       2.669400      0.3728000    
 O   -6.217400       1.176800      0.5322000    
 N  -0.1576000     -0.7191000     -0.3598000    
 N    2.320900      0.5927000     -0.6393000    
 N   -1.344100      -2.779100     -0.3862000    
 N   -3.736100      -2.838600     -0.1007000    
 C   0.9149000     -0.9995000      0.6050000    
 C   0.2766000     -0.2723000      -1.693500    
 C    1.875600      0.1857000      0.6934000    
 C    1.241500      0.9045000      -1.570500    
 C   -1.367700      -1.416400     -0.2707000    
 C    3.657300      0.7235000      -1.020400    
 C   -2.589600     -0.7323000     -6.6100001E-02
 C    6.771900      8.4200002E-02  0.8804000    
 C    5.921000      0.4916000     -0.3290000    
 C   -3.763800      -1.499100      1.3100000E-02
 C   -2.630600      0.6678000      5.4600000E-02
 C    6.461300      -1.339300       1.344300    
 C    8.260000      0.2239000      0.5542000    
 C   -4.966800     -0.8267000      0.2147000    
 C   -3.846600       1.313500      0.2555000    
 C   -2.528200      -3.405700     -0.2946000    
 C   -5.015700      0.5653000      0.3356000    
 C   -4.047800       3.421000     -0.8280000    
 C   -6.636000       1.363500       1.882600    
 H   0.4951000      -1.192200       1.599500    
 H    1.456300      -1.900100      0.2895000    
 H   0.7658000      -1.109000      -2.207800    
 H  -0.5814000      3.5200000E-02  -2.303300    
 H    2.718700     -6.8999998E-02   1.341300    
 H    1.369400       1.051000       1.138400    
 H    1.639100       1.167000      -2.555800    
 H   0.7208000       1.786100      -1.177700    
 H    6.148600     -0.1508000      -1.188300    
 H    6.130900       1.536000     -0.5916000    
 H   -1.727200       1.270400      1.9999999E-04
 H    6.657200      -2.070500      0.5533000    
 H    7.067700      -1.604200       2.218200    
 H    5.416000      -1.439200       1.657500    
 H    8.875300     -1.3000000E-02   1.429700    
 H    8.556600     -0.4351000     -0.2682000    
 H    8.502100       1.256500      0.2777000    
 H   -5.892800      -1.396300      0.2792000    
 H   -2.512700      -4.484900     -0.3855000    
 H    5.515800      0.9045000       2.141600    
 H   -4.997200       3.168100      -1.310600    
 H   -4.059200       4.483000     -0.5686000    
 H   -3.215800       3.237000      -1.515200    
 H   -5.920600       1.989700       2.424900    
 H   -7.606000       1.868200       1.873900    
 H   -6.748200      0.3981000       2.386100    


%chk=000030690-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030690

0 1
O 4.680177 0.314282 0.126865
O 3.824419 1.835863 -1.446209
O 6.791825 0.297879 1.993460
O -4.089339 2.706881 -0.116749
O -6.480882 1.038060 -0.123521
N -0.094536 -0.812673 0.090800
N 2.395027 0.558794 -0.089603
N -1.312944 -2.728168 0.692219
N -3.744619 -2.883606 0.580405
C 1.141131 -1.494826 0.542098
C 0.168356 0.102396 -1.047747
C 2.177864 -0.437353 0.980448
C 1.176521 1.191306 -0.634686
C -1.331869 -1.419698 0.315718
C 3.629587 0.978407 -0.543359
C -2.597517 -0.702580 0.203856
C 7.034450 -0.076285 0.578223
C 6.049506 0.703077 -0.315053
C -3.791839 -1.519660 0.285666
C -2.746198 0.712467 0.084089
C 6.881594 -1.603970 0.405187
C 8.470396 0.388487 0.287359
C -5.072603 -0.905243 0.151668
C -4.009319 1.299126 -0.035061
C -2.518380 -3.377353 0.828238
C -5.193566 0.476832 0.003187
C -4.669263 3.224396 -1.381315
C -6.887225 1.928410 0.992924
H 0.887470 -2.167045 1.375241
H 1.556976 -2.118936 -0.276992
H 0.603002 -0.487401 -1.884294
H -0.764260 0.555454 -1.409976
H 3.135059 -0.924564 1.214952
H 1.806329 0.075332 1.891206
H 1.470424 1.807510 -1.499649
H 0.722525 1.849801 0.134242
H 6.167597 0.454684 -1.384754
H 6.167317 1.791775 -0.176718
H -1.885673 1.385870 0.119448
H 7.153106 -1.921388 -0.618775
H 7.544721 -2.120685 1.119689
H 5.841610 -1.922558 0.596994
H 9.166213 -0.131001 0.967789
H 8.761447 0.162968 -0.754213
H 8.568881 1.473446 0.463760
H -5.966166 -1.531297 0.216380
H -2.456746 -4.424393 1.142392
H 5.822741 0.173874 2.170536
H -5.678640 2.809980 -1.551295
H -4.713307 4.316570 -1.255704
H -4.008482 2.968628 -2.231048
H -6.166621 2.755471 1.122827
H -7.877095 2.315874 0.709462
H -6.964881 1.343282 1.928190


