%chk=000167633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167633

0 1
 O    3.360400      -1.809600     -1.4000000E-02
 O    4.865900     -6.1200000E-02 -0.6577000    
 O  -0.8015000       2.638900      0.1303000    
 O   -1.801500      -1.943600      0.9073000    
 N   0.4046000      -1.370600      0.4681000    
 C    1.358000     -0.3575000      0.1214000    
 C   0.9221000      0.9782000     -2.5200000E-02
 C   -1.383600      0.3398000      0.5268000    
 C  -0.4937000       1.297500      0.2299000    
 C    2.713000     -0.6113000     -0.1061000    
 C  -0.9526000      -1.087800      0.6454000    
 C    3.592200      0.3853000     -0.4792000    
 C   -2.854800      0.5648000      0.7646000    
 C    1.843700       1.977500     -0.4298000    
 C    3.187600       1.685700     -0.6554000    
 C   0.8417000      -2.755500      0.6210000    
 C    4.711100      -1.455700     -0.3548000    
 C   -3.638300      0.4569000     -0.5042000    
 C   -4.662500     -0.3762000     -0.7712000    
 C  -0.6463000       3.283400       1.379500    
 C   -5.412800     -0.4370000      -2.071600    
 C   -5.152600      -1.342000      0.2750000    
 H   -3.210300     -5.4000001E-02   1.590200    
 H   -3.009900       1.586800       1.133800    
 H    1.525000       3.007600     -0.5750000    
 H    3.881700       2.461300     -0.9582000    
 H   1.1900000E-02  -3.412900      0.8967000    
 H    1.585600      -2.818700       1.420700    
 H    1.244400      -3.119000     -0.3292000    
 H    5.019300      -2.043200      -1.227100    
 H    5.364800      -1.709300      0.4876000    
 H   -3.341600       1.147200      -1.293800    
 H  -0.9118000       4.337300       1.251100    
 H   0.3881000       3.242700       1.737500    
 H   -1.313800       2.862600       2.139200    
 H   -5.318200      -1.430400      -2.521700    
 H   -5.030600      0.2941000      -2.791500    
 H   -6.474400     -0.2243000      -1.910000    
 H   -4.526700      -1.446600       1.159700    
 H   -6.153100      -1.046700      0.6094000    
 H   -5.227900      -2.345400     -0.1603000    


%chk=000167633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167633

0 1
O 3.361871 -1.909749 -0.059347
O 4.821876 -0.167382 -0.820381
O -0.924570 2.624999 0.143020
O -1.776537 -2.000964 1.257862
N 0.390059 -1.374920 0.615273
C 1.305653 -0.405943 0.178829
C 0.881072 0.966668 0.010623
C -1.416715 0.321629 0.707603
C -0.503383 1.282450 0.317554
C 2.661565 -0.666239 -0.128464
C -0.985917 -1.075986 0.875147
C 3.525794 0.346412 -0.577214
C -2.890365 0.619736 0.931224
C 1.777920 1.964712 -0.463583
C 3.122551 1.676543 -0.764854
C 0.811973 -2.783346 0.818728
C 4.751744 -1.613484 -0.495691
C -3.664106 0.572932 -0.383949
C -4.575495 -0.365956 -0.770094
C -0.740111 3.477966 1.337036
C -5.278793 -0.246662 -2.114183
C -4.973935 -1.574370 0.060541
H -3.291775 -0.112524 1.649582
H -3.000769 1.630699 1.365560
H 1.381693 2.971566 -0.619245
H 3.816098 2.433965 -1.135055
H -0.072442 -3.330718 1.175818
H 1.620733 -2.839325 1.564269
H 1.168550 -3.221673 -0.126836
H 4.975418 -2.198970 -1.404372
H 5.443845 -1.831114 0.336445
H -3.433012 1.397647 -1.074165
H -1.100658 4.476101 1.046068
H 0.326805 3.529180 1.628585
H -1.334338 3.095135 2.188778
H -5.045483 -1.117393 -2.759323
H -4.986414 0.670876 -2.654027
H -6.379864 -0.235649 -1.985551
H -4.244202 -1.799923 0.853743
H -5.973396 -1.427009 0.518205
H -5.050338 -2.470819 -0.584959


