%chk=000148424.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148424

0 1
 O    2.499400      -1.124300      2.8200001E-02
 O  -0.6522000      -2.846100      0.1011000    
 O    2.056600      -3.262900      0.7282000    
 O   -4.732300       2.231400      0.5097000    
 O   -2.081300      -5.121900      0.6802000    
 O   -7.214300       4.690800      0.5655000    
 O   -6.001400       3.798200       2.168600    
 N   -2.950000      -3.110100     -0.2061000    
 N   -2.639900     -0.1612000      -1.223700    
 N   -6.319700       3.880400      0.9462000    
 C    6.866300       1.138500     -1.7000000E-03
 C    8.373900       1.052400      0.2533000    
 C    6.123200     -0.1656000      0.2969000    
 C    9.127700       2.332200     -0.1148000    
 C    4.629700     -3.0700000E-02  3.5999999E-03
 C    10.63410       2.165600      9.1100000E-02
 C    3.874000      -1.309500      0.3363000    
 C    11.39300       3.420700     -0.3089000    
 C    1.670900      -2.191900      0.2712000    
 C   0.2858000      -1.880700     -8.5400000E-02
 C  -0.2885000     -0.7419000     -0.6002000    
 C   -1.668100      -1.025900     -0.7390000    
 C   -1.838500      -2.317900     -0.2991000    
 C   -3.187800      0.5577000     -0.2819000    
 C   -4.230900       1.536000     -0.5447000    
 C   -3.007400      -4.433300      0.2650000    
 C   -4.846300       1.920000      -1.713300    
 C   -5.678300       3.068300      8.9999996E-03
 C   -5.786400       2.915100      -1.353800    
 C   -4.411400      -4.983700      0.2188000    
 H    6.697400       1.415000      -1.049900    
 H    6.445800       1.946200      0.6102000    
 H    8.783300      0.2154000     -0.3262000    
 H    8.547300      0.8192000       1.311100    
 H    6.545700     -0.9764000     -0.3086000    
 H    6.271400     -0.4360000       1.349200    
 H    8.926900       2.585200      -1.163000    
 H    8.758100       3.164700      0.4956000    
 H    4.202700      0.8010000      0.5781000    
 H    4.471400      0.2220000      -1.052300    
 H    10.84260       1.937000       1.142800    
 H    11.00100       1.321000     -0.5037000    
 H    3.981200      -1.541800       1.402400    
 H    4.270600      -2.143400     -0.2547000    
 H    11.07180       4.280200      0.2881000    
 H    12.46710       3.280400     -0.1521000    
 H    11.23200       3.656600      -1.365700    
 H   0.2187000      0.1807000     -0.8464000    
 H   -3.818300      -2.679200     -0.5148000    
 H   -2.880600      0.4564000      0.7771000    
 H   -4.647200       1.535100      -2.703500    
 H   -6.456300       3.450300      -2.011900    
 H   -4.787300      -4.954200     -0.8078000    
 H   -5.062700      -4.387300      0.8639000    
 H   -4.415800      -6.019700      0.5685000    


%chk=000148424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148424

0 1
O 2.520065 -1.378236 -0.002912
O -0.622694 -3.256725 -0.023742
O 2.214649 -3.707200 0.063495
O -3.931879 3.009782 -0.363261
O -2.312837 -5.604605 0.030120
O -6.599307 5.397148 -0.532039
O -4.315309 5.699002 -0.479331
N -3.040067 -3.373959 -0.085354
N -2.906957 -0.478453 -0.197124
N -5.375389 4.958293 -0.480367
C 6.838040 1.131725 0.064059
C 8.382494 1.088010 0.091643
C 6.184315 -0.268265 0.067572
C 9.028397 2.491712 0.091430
C 4.639162 -0.196160 0.032465
C 10.573749 2.455648 0.116127
C 4.000578 -1.583816 0.042057
C 11.208823 3.862788 0.117502
C 1.745341 -2.547176 0.012813
C 0.325930 -2.175863 -0.039809
C -0.337161 -0.962775 -0.106670
C -1.757097 -1.249725 -0.134791
C -1.862306 -2.663905 -0.081341
C -2.870038 0.841566 -0.248090
C -4.089842 1.604125 -0.312686
C -3.253507 -4.779528 -0.031696
C -5.460871 1.289371 -0.339219
C -5.224652 3.534563 -0.420574
C -6.181794 2.519323 -0.408202
C -4.731899 -5.151033 -0.056239
H 6.503968 1.688977 -0.835968
H 6.472654 1.708021 0.939567
H 8.750025 0.515218 -0.785519
H 8.718984 0.529858 0.990448
H 6.551397 -0.846152 -0.805905
H 6.512751 -0.823509 0.970646
H 8.690789 3.051421 -0.806118
H 8.662825 3.064538 0.969510
H 4.271547 0.378458 0.904551
H 4.311041 0.347838 -0.874338
H 10.910454 1.895399 1.012444
H 10.938544 1.884334 -0.762009
H 4.246124 -2.155847 0.956128
H 4.295179 -2.190178 -0.834746
H 10.884297 4.443331 1.001803
H 12.312967 3.809630 0.135103
H 10.912242 4.432539 -0.783485
H 0.159697 0.003858 -0.131515
H -3.854266 -2.746752 -0.134457
H -1.936664 1.431595 -0.244819
H -5.870083 0.282954 -0.311429
H -7.257472 2.669254 -0.444685
H -5.225409 -4.774662 -0.971379
H -5.263546 -4.731399 0.817930
H -4.819281 -6.246256 -0.030893


