%chk=000128963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128963

0 1
 O   -1.470900      -2.730500       2.248600    
 O   -5.435100      -2.829000     -0.3095000    
 O   -3.532800      -3.182500      -1.495500    
 O   -4.351800       2.507000      -2.020200    
 O    2.389100       2.180600       2.450100    
 O   -4.976800       2.402000      0.1583000    
 N   -2.045100      -1.752800      0.2254000    
 N    2.893800       1.291800     -1.7300000E-02
 N   0.9214000       1.678300      -1.977800    
 N  -0.4429000       2.746400     -0.3143000    
 N   0.3044000       2.999900       1.933400    
 N   -1.793300       3.776400       1.229200    
 C    5.024700     -0.6000000     -0.4769000    
 C    4.425400      -2.022900     -0.2830000    
 C    4.360400      0.1891000      -1.631000    
 C    2.982700      -2.084200      8.9000002E-02
 C    6.528800     -0.7188000     -0.7644000    
 C    3.062000      0.8773000      -1.286400    
 C    2.007400      -2.145900     -0.9061000    
 C    2.608900      -2.081200       1.433000    
 C   -3.468000      -1.719700      0.4507000    
 C   0.2842000      -2.201300      0.7864000    
 C   -4.035300     -0.2949000      0.4470000    
 C   0.6581000      -2.204400     -0.5574000    
 C    1.259700      -2.139800       1.781600    
 C    2.094300       1.066900      -2.248400    
 C   -1.152800      -2.263400       1.158100    
 C   -3.891100      0.4783000     -0.8699000    
 C    1.719100       1.900900      0.2422000    
 C   0.7327000       2.101600     -0.7097000    
 C   -4.114500      -2.637700     -0.5662000    
 C    1.498000       2.370300       1.628100    
 C   -4.454800       1.882000     -0.8181000    
 C  -0.5901000       3.160400      0.9913000    
 H    4.926100     -4.9400002E-02  0.4671000    
 H    4.584100      -2.608900      -1.199200    
 H    5.007800      -2.549600      0.4859000    
 H    4.216500     -0.4779000      -2.490500    
 H    5.037800      0.9852000      -1.967300    
 H    6.991800      0.2711000     -0.8383000    
 H    7.036300      -1.261800      3.9999999E-02
 H    6.712300      -1.252700      -1.703100    
 H    2.284300      -2.167900      -1.956800    
 H    3.359200      -2.029000       2.217500    
 H   -3.670300      -2.163500       1.433300    
 H   -3.545000      0.2804000       1.243800    
 H   -5.100000     -0.3322000      0.7120000    
 H  -6.4999998E-02  -2.286100      -1.363300    
 H   0.9883000      -2.130300       2.833900    
 H    2.220900      0.7377000      -3.273100    
 H   -1.710600      -1.362100     -0.6484000    
 H   -2.832100      0.5639000      -1.136300    
 H   -4.413300     -5.8800001E-02  -1.669300    
 H   -1.163800       2.890500      -1.010100    
 H   -5.849200      -3.436500     -0.9589000    
 H   -4.731300       3.411200      -1.995400    
 H   -2.481100       3.895400      0.4936000    
 H   -2.029400       4.128600       2.150400    


%chk=000128963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128963

0 1
O -1.788275 -1.734539 1.986841
O -5.589902 -2.722209 -1.264926
O -3.592407 -2.987636 -2.422253
O -5.273112 2.114086 -1.113988
O 3.184008 3.444388 2.178786
O -3.265454 2.634936 -0.104448
N -2.122611 -2.175117 -0.261498
N 3.041921 1.633434 -0.053489
N 0.456352 1.144002 -1.153258
N -0.453515 2.657377 0.414277
N 0.881382 3.850069 2.042140
N -1.434097 4.183905 1.896475
C 4.977574 -0.609010 -0.519739
C 4.478828 -2.050905 -0.177163
C 4.120993 0.084110 -1.626705
C 2.995899 -2.149090 0.136375
C 6.465008 -0.666374 -0.935184
C 2.871870 0.762137 -1.093819
C 2.114863 -2.840375 -0.734700
C 2.444362 -1.521321 1.286354
C -3.572634 -2.046073 -0.136236
C 0.175784 -2.154407 0.600122
C -4.039380 -0.571472 0.094962
C 0.721769 -2.841240 -0.514232
C 1.056950 -1.526610 1.518354
C 1.574265 0.535924 -1.635274
C -1.297473 -2.021195 0.845627
C -3.600847 0.379815 -1.057616
C 1.945648 2.262363 0.450075
C 0.653401 2.007469 -0.111941
C -4.208014 -2.637485 -1.389364
C 2.076964 3.222190 1.616819
C -3.982605 1.797860 -0.717333
C -0.285038 3.565150 1.463860
H 4.890194 0.026614 0.383117
H 4.722554 -2.716188 -1.029629
H 5.073360 -2.409477 0.687129
H 3.853891 -0.639584 -2.421347
H 4.751832 0.863906 -2.097683
H 6.874421 0.350820 -1.072615
H 7.075492 -1.174971 -0.165924
H 6.594000 -1.218494 -1.886821
H 2.525392 -3.373723 -1.600591
H 3.105575 -0.998320 1.986887
H -3.917668 -2.618939 0.746350
H -3.587507 -0.251880 1.049921
H -5.138254 -0.564555 0.201559
H 0.076831 -3.400290 -1.203705
H 0.626304 -1.032686 2.395615
H 1.427962 -0.162557 -2.465336
H -1.748509 -2.369063 -1.193750
H -2.504540 0.331599 -1.187123
H -4.092983 0.091688 -2.002417
H -1.397875 2.468270 0.037683
H -5.985317 -3.099315 -2.097088
H -5.503664 3.045382 -0.845385
H -2.339406 3.988349 1.470768
H -1.340465 4.836758 2.670279


