%chk=000171682.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171682

0 1
 O   0.4295000     -0.1262000       1.254500    
 O    4.417000      -2.726300      -1.040000    
 O    4.511000       3.330100     -6.8999998E-02
 O    3.981900      -1.764500      0.9721000    
 O    3.700500       2.001800       1.586500    
 N  -0.9069000      0.4379000     -0.5914000    
 N    2.672700      0.2890000     -0.2997000    
 C   -2.399200      -1.363100      8.1400000E-02
 C   -3.248600      0.8909000     -0.1072000    
 C   -2.191100     -1.3600000E-02 -0.2042000    
 C   -1.286500      -2.356300     -1.3500000E-02
 C   -3.057100       2.342700     -0.4058000    
 C   -3.664800      -1.807800      0.4639000    
 C   -4.514100      0.4460000      0.2755000    
 C   -1.555900      -3.438100      -1.074900    
 C  -0.9733000      -3.016400       1.341300    
 C   -3.328500       3.233500      0.8198000    
 C   -3.911200       2.813500      -1.596700    
 C   -4.722200     -0.9032000      0.5609000    
 C    1.424000      0.9621000     -0.6553000    
 C   0.2788000      0.3536000      0.1355000    
 C    2.759400      -1.011100     -0.9640000    
 C    3.821400       1.121800     -0.6542000    
 C    3.757200      -1.861800     -0.2277000    
 C    4.006000       2.165800      0.4122000    
 H  -0.3595000      -1.902400     -0.3561000    
 H   -2.022700       2.564400     -0.6826000    
 H   -3.852800      -2.853200      0.6923000    
 H   -5.354100       1.130100      0.3588000    
 H  -0.9051000       1.115200      -1.350100    
 H   -2.415500      -4.065200     -0.8150000    
 H  -0.6869000      -4.096800      -1.181900    
 H   -1.755100      -2.983900      -2.052100    
 H   -1.792300      -3.660400       1.680000    
 H  -0.7973000      -2.267900       2.120400    
 H  -7.5599998E-02  -3.639700       1.263900    
 H   -4.376200       3.190800       1.136300    
 H   -3.093600       4.279600      0.5942000    
 H   -2.708000       2.926100       1.669000    
 H   -4.984000       2.750900      -1.384900    
 H   -3.707500       2.205700      -2.485300    
 H   -3.683200       3.856100      -1.844300    
 H   -5.707500      -1.249600      0.8590000    
 H    1.237600      0.9181000      -1.735700    
 H    1.440500       2.021500     -0.3685000    
 H    1.816100      -1.564700     -0.9287000    
 H    3.049400     -0.9056000      -2.016400    
 H    4.759200      0.5540000     -0.6756000    
 H    3.691500       1.593300      -1.635900    
 H    5.076600      -3.259900     -0.5475000    
 H    4.607400       4.005800      0.6355000    


%chk=000171682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171682

0 1
O 0.424669 -2.512658 0.366272
O 2.915771 1.836849 3.024794
O 2.733601 2.659726 -3.178333
O 2.198332 2.868602 1.069925
O 0.847002 1.656481 -2.282601
N -0.337963 -0.476268 -0.545197
N 2.442052 0.335138 -0.327409
C -2.571195 -1.577429 -0.666936
C -2.231882 0.467122 0.717722
C -1.728575 -0.545600 -0.158694
C -2.081502 -2.641998 -1.654738
C -1.322225 1.592378 1.225431
C -3.928689 -1.589351 -0.257392
C -3.600118 0.426900 1.075561
C -2.877726 -2.581211 -2.986620
C -2.141175 -4.059456 -1.026094
C -1.587349 1.974230 2.702668
C -1.433088 2.845584 0.310339
C -4.443715 -0.599661 0.601744
C 2.043417 -1.024669 -0.737295
C 0.625931 -1.415551 -0.238739
C 2.841007 0.457943 1.071286
C 3.094054 1.184545 -1.314396
C 2.596801 1.843829 1.662405
C 2.085859 1.828276 -2.268658
H -1.024289 -2.433292 -1.894786
H -0.277563 1.233292 1.159027
H -4.590389 -2.380363 -0.628789
H -4.006146 1.194691 1.743026
H 0.006984 0.384325 -1.002824
H -3.946825 -2.817527 -2.830873
H -2.473975 -3.318024 -3.706326
H -2.817373 -1.577548 -3.446130
H -3.178538 -4.335892 -0.758459
H -1.517430 -4.092747 -0.117316
H -1.762884 -4.814656 -1.740795
H -2.579861 2.443720 2.834048
H -0.832861 2.709098 3.041173
H -1.536456 1.090633 3.364174
H -2.456944 3.263046 0.348423
H -1.201998 2.601034 -0.741873
H -0.721045 3.624336 0.640285
H -5.498147 -0.625092 0.899476
H 2.733117 -1.809287 -0.360893
H 2.049775 -1.076118 -1.842222
H 2.254204 -0.259896 1.673973
H 3.912175 0.204590 1.266367
H 3.623941 2.016887 -0.820407
H 3.851543 0.657215 -1.939177
H 2.760529 2.741679 3.409738
H 2.068564 3.084745 -3.785084


