%chk=000127360.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127360

0 1
 O   -3.664100      -1.504900      -2.382200    
 O   -2.507400      0.6628000      -1.080500    
 O    3.354700      0.3357000      -3.106500    
 N  -0.5180000      -2.199300     -0.5687000    
 N    2.476900      0.3155000       2.305300    
 N   -3.786400      0.6281000       2.273300    
 C  -0.2559000      -2.956500      0.6681000    
 C    1.271700      -2.872200      0.9947000    
 C    1.826300      -1.528500       1.254800    
 C   -1.114100      -2.326500       1.773900    
 C  -0.7097000      -4.401300      0.4182000    
 C   -1.933800      -2.224100     -0.8839000    
 C    2.376900     -0.6381000      0.2910000    
 C   -2.249900      -1.460300      -2.172000    
 C    1.902300     -0.9143000       2.483700    
 C    2.777300      0.5111000      0.9761000    
 C   -1.810200      1.5000000E-03  -2.131700    
 C    2.573500     -0.6997000      -1.102900    
 C    3.366800       1.606100      0.3345000    
 C    3.162000      0.3880000      -1.758100    
 C    3.551800       1.522200      -1.048600    
 C   -1.854700       1.696800     -0.4644000    
 C   -2.093200       2.000900      0.8728000    
 C  -0.9415000       2.443100      -1.204300    
 C   -1.413400       3.059500       1.475200    
 C  -0.2617000       3.501800     -0.6020000    
 C  -0.4977000       3.810000      0.7378000    
 C   -3.028500       1.242700       1.646300    
 H    1.468600      -3.504700       1.872200    
 H    1.836300      -3.343800      0.1779000    
 H   1.5699999E-02  -2.597400      -1.341000    
 H   -1.049400      -1.232400       1.782400    
 H   -2.171100      -2.611400       1.731400    
 H  -0.7637000      -2.671600       2.755000    
 H  -0.3235000      -5.049500       1.215000    
 H   -1.795500      -4.540700      0.4311000    
 H  -0.3140000      -4.798700     -0.5242000    
 H   -2.319400      -3.235600      -1.047400    
 H   -2.555700      -1.777200     -0.1024000    
 H   -1.777400      -1.957700      -3.026700    
 H    1.599500      -1.239700       3.469300    
 H    2.654800      0.9839000       3.042200    
 H  -0.7206000      3.7200000E-02  -2.010900    
 H   -2.086500      0.4872000      -3.075200    
 H    2.276100      -1.582900      -1.661200    
 H    3.669300       2.490000      0.8858000    
 H    4.006700       2.359900      -1.572100    
 H   -4.087900      -1.011700      -1.658800    
 H    3.026300     -0.5171000      -3.439300    
 H  -0.7499000       2.263700      -2.257700    
 H   -1.585400       3.312500       2.518800    
 H   0.4468000       4.090400      -1.177500    
 H   3.1300001E-02   4.634800       1.206300    


%chk=000127360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127360

0 1
O -3.313928 -1.147583 -2.625422
O -2.185250 0.637723 -0.802983
O 2.682699 0.474663 -3.481433
N -0.495258 -2.642186 -0.608195
N 3.027676 0.008189 2.073016
N -5.083038 1.227292 1.057037
C -0.156217 -3.179477 0.751021
C 1.412464 -3.156288 0.874093
C 2.063364 -1.804519 1.047123
C -0.794179 -2.305666 1.853927
C -0.634836 -4.654698 0.912385
C -1.901623 -2.325291 -0.946826
C 2.417211 -0.823473 0.032511
C -1.942511 -1.335655 -2.141173
C 2.462101 -1.256820 2.270562
C 3.014870 0.302714 0.703992
C -1.280303 0.003037 -1.793634
C 2.300623 -0.788932 -1.384812
C 3.473499 1.442896 0.007431
C 2.767746 0.346807 -2.073881
C 3.343867 1.459402 -1.393074
C -1.816189 1.850075 -0.233579
C -2.783783 2.440415 0.639493
C -0.577783 2.497819 -0.458107
C -2.492921 3.677955 1.271814
C -0.310890 3.727544 0.181359
C -1.260924 4.323459 1.043981
C -4.037330 1.776375 0.864567
H 1.677620 -3.795181 1.739141
H 1.825984 -3.666694 -0.021461
H -0.080209 -3.255037 -1.327351
H -0.603033 -1.235079 1.669590
H -1.884471 -2.466748 1.926796
H -0.357100 -2.567655 2.834275
H -0.455729 -5.029794 1.937482
H -1.718151 -4.734699 0.707041
H -0.101038 -5.322938 0.208460
H -2.522934 -3.206558 -1.221335
H -2.380416 -1.836744 -0.081889
H -1.403006 -1.773961 -3.002692
H 2.383449 -1.684552 3.268899
H 3.397469 0.611233 2.803710
H -0.288963 -0.181641 -1.343895
H -1.207340 0.660629 -2.680590
H 1.835520 -1.624963 -1.920353
H 3.926780 2.292423 0.530138
H 3.691757 2.309082 -1.987697
H -3.793228 -0.586658 -1.960524
H 2.345120 -0.362841 -3.884934
H 0.179118 2.052385 -1.109429
H -3.242607 4.120171 1.935450
H 0.651421 4.218981 0.001423
H -1.043770 5.278662 1.531455


