%chk=000108541.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108541

0 1
 O    4.098700     -0.9876000      0.2612000    
 O   -9.208300      -1.093300     -0.5151000    
 O   -9.266200      0.9233000      0.5117000    
 N    4.499400       1.179700     -0.2674000    
 C    5.692700      0.5106000     -0.1395000    
 C    5.451300     -0.8164000      0.1843000    
 C    2.169800      0.3509000     -4.9000001E-03
 C    3.603000      0.2497000     -2.1000000E-02
 C    8.042700      5.5000000E-03 -8.2199998E-02
 C    7.019100      0.9437000     -0.2789000    
 C    6.437500      -1.774100      0.3866000    
 C  -0.6187000      0.5472000      2.2000000E-02
 C    1.388700     -0.7712000      0.2855000    
 C    1.548100       1.571800     -0.2818000    
 C    7.755000      -1.325700      0.2438000    
 C  -2.6000000E-03 -0.6733000      0.2988000    
 C   0.1567000       1.669800     -0.2684000    
 C   -2.069600      0.6485000      3.4899998E-02
 C    9.466000      0.4356000     -0.2236000    
 C   -4.395800     -0.2930000     -4.9800001E-02
 C   -2.926000     -0.3938000     -8.2500003E-02
 C   -4.986600      0.8263000      0.5133000    
 C   -5.158200      -1.320200     -0.5820000    
 C   -7.159400     -0.1046000      1.3400000E-02
 C   -6.377800      0.9212000      0.5453000    
 C   -6.549600      -1.225300     -0.5502000    
 C   -8.609900     -5.4000001E-03  4.6599999E-02
 H    7.239800       1.976400     -0.5300000    
 H    6.204300      -2.801000      0.6388000    
 H    1.831000      -1.738600      0.5110000    
 H    2.131600       2.460300     -0.5116000    
 H    8.565200      -2.036400      0.3938000    
 H  -0.5630000      -1.568500      0.5519000    
 H  -0.3052000       2.629300     -0.4884000    
 H   -2.446500       1.663100      0.1304000    
 H    9.869100      0.7247000      0.7520000    
 H    10.08160     -0.3717000     -0.6348000    
 H    9.558000       1.287300     -0.9063000    
 H   -2.553900      -1.403900     -0.2309000    
 H   -4.419400       1.637100      0.9591000    
 H   -4.697700      -2.199000      -1.025700    
 H   -6.835000       1.799700      0.9931000    
 H   -7.118200      -2.047200     -0.9761000    
 H   -10.18660      -1.023900     -0.4916000    


%chk=000108541-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108541

0 1
O 4.253345 -1.201253 0.007849
O -9.510505 -1.100122 -0.032719
O -9.448903 1.222142 -0.057803
N 4.556167 1.103479 -0.026169
C 5.823185 0.469830 -0.014487
C 5.641437 -0.942019 0.006419
C 2.209832 0.196743 -0.017035
C 3.662731 0.116151 -0.012985
C 8.225918 0.125731 -0.005493
C 7.125268 1.014717 -0.020568
C 6.703091 -1.853068 0.021950
C -0.645377 0.402174 -0.025993
C 1.399954 -0.974957 -0.001430
C 1.581611 1.472771 -0.037076
C 7.998880 -1.287686 0.015580
C 0.001564 -0.871271 -0.005892
C 0.182016 1.566267 -0.041297
C -2.102211 0.573246 -0.031620
C 9.651515 0.652600 -0.011760
C -4.504309 -0.247126 -0.026883
C -3.047236 -0.423078 -0.021010
C -5.145646 1.030396 -0.042882
C -5.333488 -1.409261 -0.016201
C -7.354027 -0.034265 -0.037610
C -6.543627 1.134653 -0.048150
C -6.735170 -1.311139 -0.021499
C -8.827381 0.130232 -0.043998
H 7.271271 2.098936 -0.036504
H 6.544775 -2.934349 0.038053
H 1.882634 -1.956769 0.014162
H 2.209808 2.368808 -0.049025
H 8.866824 -1.957690 0.027276
H -0.595515 -1.789021 0.006581
H -0.291764 2.555288 -0.056880
H -2.440566 1.619028 -0.046137
H 10.209360 0.313123 0.881094
H 10.207963 0.295012 -0.898461
H 9.675860 1.755344 -0.023104
H -2.710647 -1.469254 -0.007081
H -4.545337 1.945848 -0.051168
H -4.860889 -2.398830 -0.003698
H -7.038229 2.111518 -0.060428
H -7.360973 -2.207651 -0.013374
H -10.488107 -0.917630 -0.037746


