%chk=000161570.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161570

0 1
 O   -2.571800       1.528500      0.9237000    
 O   -4.636200      0.4764000     -0.6843000    
 O   0.1340000      -2.210100     -0.2115000    
 O  -0.4654000       2.484300     -0.7208000    
 N    1.664800       1.698800     -0.2478000    
 C   -2.564600      0.1576000      0.5048000    
 C   -4.027900     -0.3261000      0.3393000    
 C   -1.724900      6.4499997E-02 -0.7715000    
 C  -0.2496000      0.1511000     -0.4764000    
 C   -4.854500     -0.1295000       1.613900    
 C   -4.130900      -1.779300     -0.1321000    
 C   0.5499000     -0.8947000     -0.2176000    
 C   0.2987000       1.544700     -0.4886000    
 C    1.976800     -0.7086000      9.6299998E-02
 C    2.517700      0.5896000      5.6499999E-02
 C    2.813900      -1.782700      0.4543000    
 C    3.885700      0.7718000      0.3368000    
 C    2.237500       3.043800     -0.2849000    
 C    4.165600      -1.584100      0.7346000    
 C    4.702900     -0.3077000      0.6695000    
 C   0.2784000      -2.788300      -1.494300    
 H   -2.096500     -0.4206000       1.311100    
 H   -1.906700     -0.8891000      -1.273600    
 H   -2.023000      0.8291000      -1.499200    
 H   -5.892000     -0.4507000       1.465500    
 H   -4.434500     -0.6964000       2.451000    
 H   -4.903500      0.9276000       1.897700    
 H   -5.176000      -2.111500     -0.1436000    
 H   -3.570000      -2.451400      0.5253000    
 H   -3.775700      -1.906800      -1.159300    
 H   -3.041500       2.041700      0.2439000    
 H   -5.556600      0.1815000     -0.7928000    
 H    2.429800      -2.798000      0.5213000    
 H    4.349500       1.753900      0.3126000    
 H    1.484400       3.794400     -0.5407000    
 H    3.022300       3.085900      -1.046600    
 H    2.639700       3.296000      0.7013000    
 H    4.794400      -2.427800       1.002800    
 H    5.754900     -0.1470000      0.8856000    
 H  -8.2400002E-02  -3.820100      -1.441800    
 H    1.325200      -2.818500      -1.815100    
 H  -0.3206000      -2.264900      -2.247100    


%chk=000161570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161570

0 1
O -3.028925 1.705662 0.305370
O -4.780872 0.138573 -0.965317
O 0.191079 -2.310744 -0.321626
O -0.587178 2.467747 -0.396874
N 1.581197 1.670730 -0.070603
C -2.746529 0.266164 0.390981
C -4.157645 -0.404685 0.260932
C -1.742483 -0.175182 -0.718683
C -0.279988 0.070602 -0.402916
C -5.008377 -0.017116 1.495325
C -4.114640 -1.930641 0.087372
C 0.625828 -0.968668 -0.241487
C 0.199076 1.453990 -0.287202
C 2.026561 -0.735286 0.060654
C 2.495683 0.618912 0.124100
C 2.937290 -1.801844 0.301181
C 3.870656 0.869064 0.394664
C 2.046252 3.074385 -0.012375
C 4.289550 -1.545339 0.571199
C 4.753302 -0.203398 0.610087
C 0.334863 -2.925869 -1.661223
H -2.322475 0.013521 1.387352
H -1.861879 -1.257178 -0.879990
H -2.034136 0.348090 -1.649738
H -6.055932 -0.319069 1.322520
H -4.641973 -0.523548 2.408620
H -4.970348 1.072717 1.660252
H -5.133385 -2.341932 0.193708
H -3.466100 -2.402647 0.848529
H -3.750362 -2.202777 -0.917668
H -2.183637 2.174835 0.005287
H -4.582635 1.117426 -0.921275
H 2.546902 -2.824047 0.293976
H 4.248231 1.892845 0.444184
H 1.173267 3.716136 -0.197093
H 2.812508 3.258950 -0.785210
H 2.463274 3.305309 0.983577
H 4.981923 -2.371694 0.759621
H 5.808105 0.004443 0.819818
H -0.011561 -3.963556 -1.545967
H 1.390412 -2.910612 -1.993449
H -0.293600 -2.396970 -2.402416


