%chk=000055369.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055369

0 1
 O   -4.393900       1.136900     -0.2828000    
 O   0.2059000       2.184400       1.003300    
 O   -3.020300     -0.6763000      -1.743900    
 O   0.2922000      -2.199000       1.480200    
 O    4.248400       2.088300      -1.759800    
 O    3.796700       2.292300      0.4554000    
 N   -2.234100      -1.615200      0.2268000    
 N    1.956900      -2.353400     -0.1320000    
 C   -2.107200       1.712900      0.3423000    
 C   -3.204300      0.6083000      0.2975000    
 C  -0.7955000       1.173200      0.9631000    
 C   -1.825600       2.270200      -1.067200    
 C   -2.624000       2.885300       1.210500    
 C   -2.827100     -0.6180000     -0.5309000    
 C   -1.767400      -2.860400     -0.3382000    
 C  -0.3166000      -2.779100     -0.7925000    
 C    3.070300      -2.016300      0.7245000    
 C   0.6484000      -2.416400      0.3253000    
 C    3.353400     -0.5153000      0.7660000    
 C    3.654500      0.1019000     -0.6022000    
 C    3.889300       1.595400     -0.5453000    
 H   -3.460600      0.2911000       1.315300    
 H  -0.9632000      0.8243000       1.987500    
 H  -0.3864000      0.3417000      0.3837000    
 H   -1.401500       1.503900      -1.724300    
 H   -2.727500       2.666300      -1.544800    
 H   -1.111500       3.101000      -1.035900    
 H   -2.840300       2.550400       2.231200    
 H   -1.888200       3.694600       1.275300    
 H   -3.542600       3.318000      0.7991000    
 H   -2.104600      -1.472800       1.224000    
 H   -1.883100      -3.624600      0.4379000    
 H   -2.407400      -3.134200      -1.183700    
 H   -4.243100       1.278300      -1.232100    
 H  -1.1700000E-02  -3.745600      -1.210200    
 H  -0.2150000      -2.023800      -1.581600    
 H   0.5730000       2.273800      0.1078000    
 H    3.944400      -2.553900      0.3422000    
 H    2.866700      -2.381000       1.737200    
 H    4.198400     -0.3316000       1.441100    
 H    2.489600     -1.9999999E-04   1.206000    
 H    2.151500      -2.544000      -1.110700    
 H    4.551100     -0.3683000      -1.021200    
 H    2.814600     -6.7100003E-02  -1.285000    
 H    4.412500       3.054900      -1.727600    


%chk=000055369-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055369

0 1
O -4.059594 1.359008 -0.662549
O 0.273770 1.969251 1.775999
O -3.006044 -0.840133 -1.696203
O 0.365897 -2.525997 1.459602
O 4.302326 2.472408 -1.306080
O 2.330008 2.531232 -0.110124
N -2.210508 -1.632249 0.335380
N 1.849448 -2.324919 -0.318162
C -1.803476 1.693358 0.349067
C -3.044774 0.731317 0.179328
C -0.761575 1.049128 1.313923
C -1.162841 1.984366 -1.029524
C -2.336301 3.007021 0.975419
C -2.731487 -0.645872 -0.460973
C -1.881012 -2.968308 -0.187396
C -0.467179 -3.028533 -0.806420
C 2.975853 -1.871955 0.519785
C 0.602907 -2.612686 0.213458
C 3.067991 -0.330482 0.638348
C 3.306756 0.346540 -0.735364
C 3.233034 1.855521 -0.661584
H -3.497289 0.576325 1.180484
H -1.268186 0.720222 2.243224
H -0.297973 0.159747 0.834382
H -0.785581 1.060964 -1.510851
H -1.905886 2.441585 -1.705613
H -0.319200 2.690335 -0.922693
H -2.769143 2.820536 1.977133
H -1.512032 3.729046 1.101043
H -3.121790 3.439313 0.333496
H -1.916813 -1.427430 1.293079
H -1.954567 -3.685503 0.646545
H -2.625930 -3.225709 -0.958839
H -4.018192 0.869497 -1.536437
H -0.266449 -4.063276 -1.149421
H -0.429795 -2.374393 -1.698207
H 0.900672 2.200348 1.035409
H 3.913410 -2.286906 0.103877
H 2.823444 -2.297418 1.526533
H 3.899888 -0.082829 1.325235
H 2.144359 0.058481 1.102508
H 1.987603 -2.431179 -1.324639
H 4.277728 0.053179 -1.168331
H 2.509110 0.025118 -1.436334
H 4.204515 3.462828 -1.246210


