%chk=000073452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073452

0 1
 O    5.098000      0.3683000      0.6319000    
 O    3.441000       2.531000     -5.8200002E-02
 O    4.013300      -2.070100       1.406600    
 O   -3.030800      -1.225500     -0.9301000    
 O   -4.968600      -1.740900       1.085100    
 O    3.323800      -3.097200      -1.099600    
 O   -6.907600      1.3500000E-02  0.1046000    
 N   0.9556000       1.417700      0.9163000    
 N  -0.5311000      0.7775000      -1.374100    
 C    3.677500      0.2151000      0.6918000    
 C    3.032900       1.189400     -0.3167000    
 C    3.322600      -1.264100      0.4505000    
 C   -3.149600     -0.3957000      0.2305000    
 C   -2.608300       1.003600     -0.1407000    
 C   -4.619500     -0.4145000      0.6819000    
 C    1.518800       1.142600     -0.2630000    
 C   -1.121300       1.052000     -0.1939000    
 C    3.709900      -1.734500     -0.9506000    
 C   -5.581000      3.6200002E-02 -0.4142000    
 C   0.8156000      0.8290000      -1.389000    
 C  -0.3911000       1.366500      0.9310000    
 H    3.401100      0.4973000       1.715500    
 H    3.392000      0.9767000      -1.329500    
 H    2.252800      -1.440800      0.6093000    
 H   -2.538500     -0.8575000       1.016000    
 H   -2.964800       1.744100      0.5863000    
 H   -2.998300       1.309700      -1.119800    
 H   -4.746400      0.2181000       1.567500    
 H    3.204900      -1.172300      -1.738000    
 H    4.791200      -1.681100      -1.112400    
 H   -5.370200       1.056200     -0.7460000    
 H   -5.559800     -0.6312000      -1.281500    
 H    1.281600      0.6076000      -2.340800    
 H  -0.8559000       1.586400       1.884900    
 H    5.485600     -0.2538000       1.271100    
 H    4.413400       2.541600     -4.4100001E-02
 H    3.738500      -1.774000       2.291200    
 H   -2.086800      -1.290100      -1.153100    
 H   -4.834800      -2.326100      0.3199000    
 H    3.770500      -3.604700     -0.4005000    
 H   -7.088900     -0.8949000      0.4008000    


%chk=000073452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073452

0 1
O 5.019780 0.705126 -0.771765
O 2.882117 0.828400 -2.308498
O 5.230722 0.125508 1.853760
O -3.579046 1.046112 -1.419800
O -6.005488 -0.009424 -1.533580
O 4.845371 -2.586202 2.023748
O -7.109307 0.591274 0.913203
N 1.041620 -0.903118 0.356182
N -0.970799 0.532394 -1.017840
C 3.755411 0.486147 -0.048628
C 2.799045 -0.053299 -1.147439
C 4.017346 -0.431900 1.168034
C -3.715994 -0.236819 -0.710604
C -2.745583 -0.297067 0.495756
C -5.208496 -0.331759 -0.331527
C 1.346134 -0.110036 -0.717440
C -1.291583 -0.254217 0.064947
C 4.389995 -1.883640 0.825552
C -5.651166 0.622309 0.800675
C 0.332384 0.599641 -1.409047
C -0.265118 -0.970807 0.733374
H 3.368423 1.464388 0.313624
H 3.133971 -1.076094 -1.424154
H 3.153263 -0.428370 1.854908
H -3.481298 -1.070444 -1.408726
H -2.931885 -1.207724 1.095695
H -2.950288 0.574686 1.148671
H -5.479789 -1.369697 -0.067958
H 3.493518 -2.423934 0.483523
H 5.163691 -1.898694 0.029238
H -5.267028 0.293615 1.782551
H -5.283663 1.648325 0.585005
H 0.584706 1.213981 -2.274165
H -0.496317 -1.617478 1.586410
H 5.727428 0.806842 -0.078927
H 3.848045 1.037249 -2.428545
H 4.958806 0.763874 2.558075
H -2.584687 1.153111 -1.583844
H -5.488203 0.707252 -2.001175
H 5.547071 -2.013944 2.432706
H -7.445807 0.585534 -0.025075


