%chk=000050731.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050731

0 1
 O    1.827800       2.021200     -0.1339000    
 O    1.074300       1.441000      -2.230300    
 N    3.739000     -0.8658000      0.1621000    
 N   -4.329100       2.233300       1.175600    
 C    2.895400      -2.012100      0.5054000    
 C    1.437500      -1.723100      0.1514000    
 C    3.624400      0.1775000       1.174000    
 C   0.5422000      -2.919500      0.4837000    
 C    4.053400       1.523100      0.5979000    
 C    5.132700      -1.288200      1.2600000E-02
 C  -0.9054000      -2.635700      0.1742000    
 C    3.175300       1.933700     -0.5763000    
 C   -1.730900      -2.077600       1.150500    
 C   -1.419900      -2.931400      -1.088000    
 C   -3.070700      -1.815300      0.8644000    
 C   -2.759600      -2.669000      -1.374300    
 C   -3.585000      -2.111000     -0.3980000    
 C   0.8727000       1.748900      -1.065900    
 C  -0.4860000       1.876000     -0.4807000    
 C   -1.610800       1.639200      -1.271100    
 C  -0.6376000       2.231600      0.8595000    
 C   -2.887100       1.758300     -0.7212000    
 C   -1.913900       2.350700       1.409400    
 C   -3.038700       2.114100      0.6190000    
 H    3.000200      -2.286900       1.563200    
 H    3.201400      -2.890000     -7.9099998E-02
 H    1.356000      -1.487400     -0.9180000    
 H    1.062600     -0.8482000      0.6930000    
 H    2.602000      0.2841000       1.552000    
 H    4.233800     -5.6699999E-02   2.057200    
 H   0.8699000      -3.804500     -7.6800004E-02
 H   0.6422000      -3.182800       1.544500    
 H    3.952600       2.272300       1.393700    
 H    5.106200       1.525900      0.2982000    
 H    5.540200      -1.707600      0.9398000    
 H    5.218100      -2.050600     -0.7706000    
 H    5.776400     -0.4629000     -0.3063000    
 H    3.481100       2.926600     -0.9243000    
 H    3.298300       1.233600      -1.410500    
 H   -1.340900      -1.839400       2.136600    
 H  -0.7861000      -3.364100      -1.857500    
 H   -3.712800      -1.378400       1.623600    
 H   -3.159800      -2.897700      -2.357700    
 H   -4.627500      -1.904600     -0.6214000    
 H   -1.514000       1.359100      -2.316600    
 H   0.2102000       2.423000       1.511100    
 H   -3.755800       1.569500      -1.346700    
 H   -2.019400       2.627300       2.455300    
 H   -5.144900       2.059400      0.6037000    
 H   -4.439500       2.490100       2.147500    


%chk=000050731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050731

0 1
O 1.682316 1.949593 -0.085254
O 0.813058 2.400945 -2.203888
N 3.926967 -0.996852 0.238926
N -4.500019 2.497587 1.563253
C 3.036384 -2.139430 0.568887
C 1.592717 -1.927875 0.063623
C 3.737176 0.171465 1.134448
C 0.622106 -3.015635 0.597668
C 4.012216 1.520357 0.431251
C 5.346066 -1.383713 0.110169
C -0.800422 -2.863682 0.074008
C 3.031272 1.798627 -0.707413
C -1.567429 -1.708591 0.382328
C -1.391308 -3.863215 -0.740193
C -2.881430 -1.555381 -0.110306
C -2.708347 -3.716441 -1.235036
C -3.458859 -2.560533 -0.921759
C 0.629715 2.238581 -0.968748
C -0.676681 2.316474 -0.275041
C -1.844706 2.547341 -1.051035
C -0.811445 2.157623 1.130897
C -3.109656 2.611109 -0.450335
C -2.072483 2.220054 1.744059
C -3.246621 2.444652 0.961741
H 3.020922 -2.346631 1.671184
H 3.453081 -3.046207 0.088653
H 1.594117 -1.929631 -1.042454
H 1.228914 -0.928085 0.368571
H 2.690265 0.180306 1.484209
H 4.383366 0.091544 2.044749
H 1.011738 -4.016942 0.326990
H 0.622363 -2.967727 1.706844
H 3.957330 2.337693 1.176351
H 5.037249 1.533386 0.011442
H 5.794784 -1.753336 1.067696
H 5.450061 -2.179159 -0.648914
H 5.945722 -0.519992 -0.228409
H 3.270014 2.726042 -1.258266
H 2.997748 0.952334 -1.415795
H -1.134941 -0.917785 1.007524
H -0.814187 -4.762680 -0.989419
H -3.447787 -0.649218 0.133781
H -3.145584 -4.501397 -1.863142
H -4.478411 -2.442916 -1.306529
H -1.732288 2.667631 -2.133773
H 0.086257 1.989492 1.733087
H -4.001225 2.786521 -1.064527
H -2.161790 2.098885 2.830628
H -5.335431 2.675845 1.012965
H -4.602371 2.387968 2.568204


