%chk=000147974.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147974

0 1
 O   -5.048700     -0.8693000      0.7536000    
 O    6.813800       2.090800     -0.3332000    
 O    6.852200      -2.933900       1.408400    
 N    5.169700     -0.1964000     -0.3729000    
 N  -0.3479000      0.2050000      0.5315000    
 N  -0.8002000       1.232300     -2.6400000E-02
 N   -6.311600       1.646500      0.8760000    
 C    5.755100      0.3366000      -1.586800    
 C    6.030800     -0.8225000      0.6107000    
 C    3.781400     -9.5200002E-02 -0.1452000    
 C    5.967700       1.834300      -1.447100    
 C    5.976800      -2.333500      0.4622000    
 C    2.962500      0.5210000      -1.091600    
 C    3.227300     -0.6116000       1.026200    
 C   -5.783000      -2.898000     -0.2849000    
 C   -6.758000      -2.165200      -1.202100    
 C   -4.586400      -2.028100      7.3600002E-02
 C    1.589600      0.6207000     -0.8666000    
 C    1.854400     -0.5116000       1.251200    
 C    1.035400      0.1044000      0.3048000    
 C   -4.314600      0.2769000      0.5918000    
 C   -6.082200      -1.714400      -2.487200    
 C   -4.922700       1.530900      0.6495000    
 C   -2.941600      0.1774000      0.3665000    
 C   -2.176800       1.331800      0.1991000    
 C   -4.157900       2.685400      0.4819000    
 C   -2.785000       2.585800      0.2569000    
 H    5.179700      8.4600002E-02  -2.484200    
 H    6.734800     -0.1340000      -1.744800    
 H    5.818500     -0.5000000       1.637300    
 H    7.072500     -0.5068000      0.4619000    
 H    5.033800       2.382300      -1.295700    
 H    6.454900       2.226800      -2.345400    
 H    6.301300      -2.633100     -0.5406000    
 H    4.974100      -2.738200      0.6240000    
 H    3.328800      0.9362000      -2.023800    
 H    3.807900      -1.097900       1.802100    
 H   -6.318500      -3.180200      0.6295000    
 H   -5.437000      -3.822000     -0.7620000    
 H   -7.582100      -2.844200      -1.450400    
 H   -7.202200      -1.301800     -0.6945000    
 H   -4.020000      -1.801900     -0.8370000    
 H   -3.933200      -2.590500      0.7514000    
 H   0.9842000       1.089000      -1.638700    
 H    1.430100     -0.9154000       2.166800    
 H   -5.535200      -2.535300      -2.961800    
 H   -6.838300      -1.362400      -3.197100    
 H   -5.393200     -0.8818000      -2.318300    
 H   -2.463100     -0.7970000      0.3374000    
 H    6.940500       3.053800     -0.2868000    
 H    6.802100      -3.895700       1.273500    
 H   -4.619500       3.668700      0.5245000    
 H   -2.196700       3.490500      0.1275000    
 H   -6.872000      0.8130000      0.9954000    
 H   -6.745500       2.559000      0.9161000    


%chk=000147974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147974

0 1
O -5.436711 -0.298587 0.318553
O 7.506178 1.267417 1.270521
O 6.691074 -3.565757 -0.429127
N 5.328564 -0.086816 -0.325400
N -0.343978 0.456570 -0.135732
N -0.871596 1.627978 -0.438515
N -6.511684 2.054244 -0.287742
C 6.213541 1.010489 -0.745263
C 5.975842 -1.338966 0.109837
C 3.936833 0.075432 -0.279026
C 6.579818 1.990549 0.382820
C 6.047548 -2.382954 -1.021567
C 3.317261 1.334439 -0.593740
C 3.070324 -1.007894 0.083710
C -6.083085 -2.557998 0.924650
C -6.985856 -2.810414 -0.308415
C -4.896088 -1.626945 0.663872
C 1.926912 1.493594 -0.560610
C 1.679179 -0.836192 0.121458
C 1.073769 0.408973 -0.201419
C -4.507165 0.713310 -0.005797
C -6.277498 -3.556476 -1.461601
C -5.127444 1.971605 -0.329913
C -3.119295 0.561915 -0.025044
C -2.289018 1.672306 -0.378970
C -4.290954 3.065122 -0.676468
C -2.891850 2.916205 -0.701354
H 5.760490 1.569197 -1.584774
H 7.157243 0.576680 -1.123483
H 5.442050 -1.774604 0.972719
H 6.994681 -1.104271 0.457069
H 5.666464 2.307590 0.925044
H 7.074998 2.885866 -0.052435
H 6.645277 -1.981028 -1.867802
H 5.028974 -2.621771 -1.391596
H 3.930708 2.200290 -0.860579
H 3.483894 -1.989267 0.331284
H -6.687165 -2.132320 1.749327
H -5.676293 -3.523796 1.288840
H -7.866329 -3.398219 0.018053
H -7.369898 -1.840114 -0.677130
H -4.265210 -1.990610 -0.171858
H -4.258505 -1.531751 1.566275
H 1.466659 2.456708 -0.803530
H 1.023855 -1.669690 0.397403
H -5.869799 -4.526289 -1.117840
H -6.980329 -3.760106 -2.289902
H -5.441617 -2.965500 -1.877801
H -2.621297 -0.379971 0.221478
H 7.617806 1.761324 2.119858
H 6.757143 -4.283367 -1.107089
H -4.747711 4.030127 -0.925829
H -2.238117 3.752361 -0.968956
H -7.041426 1.227278 -0.023482
H -6.994367 2.919904 -0.506780


