%chk=000100957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100957

0 1
 O    4.016100      -1.024200      0.1072000    
 O   -5.787800      -1.202400     -0.2143000    
 O   -3.984400      -2.382500     -0.6315000    
 N   0.4379000     -0.4203000      0.2696000    
 N    1.884000       1.861400     -0.4712000    
 N   0.5396000       1.907300     -0.3637000    
 N   -4.541100      -1.304500     -0.3113000    
 C    2.692300      -1.567400      0.3764000    
 C    3.936400      0.3830000     -0.2572000    
 C    1.766300     -0.4162000      0.1498000    
 C    2.477400      0.6907000     -0.2107000    
 C    2.436600      -2.710900     -0.6005000    
 C    2.660900      -2.053900       1.821900    
 C    4.512200      0.5449000      -1.660400    
 C    4.725000       1.187600      0.7710000    
 C  -0.1155000      0.7751000     -1.6000000E-03
 C   -1.547800      0.8661000      0.1026000    
 C   -2.346800     -0.2535000     -0.1526000    
 C   -2.153000       2.075400      0.4603000    
 C   -3.735000     -0.1646000     -5.1199999E-02
 C   -3.541200       2.164400      0.5616000    
 C   -4.332200       1.044300      0.3059000    
 H    1.442400      -3.149100     -0.4613000    
 H    2.514200      -2.368000      -1.639100    
 H    3.185500      -3.501600     -0.4784000    
 H    2.898200      -1.240600       2.518100    
 H    1.679200      -2.457000       2.093100    
 H    3.414400      -2.832500       1.986700    
 H    3.974100     -7.9700001E-02  -2.383300    
 H    4.459000       1.583700      -2.003300    
 H    5.559000      0.2220000      -1.690500    
 H    5.775600      0.8763000      0.7853000    
 H    4.683800       2.262300      0.5635000    
 H    4.338800       1.022100       1.784000    
 H   -1.877300      -1.191800     -0.4414000    
 H   -1.564500       2.964300      0.6757000    
 H   -4.006100       3.105300      0.8419000    
 H   -5.410300       1.150700      0.3953000    


%chk=000100957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100957

0 1
O 4.074444 -1.060370 0.062097
O -5.883730 -1.233087 0.519857
O -3.984681 -2.490793 0.606841
N 0.441705 -0.453815 0.133025
N 1.955621 1.945759 -0.271095
N 0.572079 1.978617 -0.215891
N -4.600372 -1.364758 0.479322
C 2.698128 -1.665404 0.202437
C 4.024074 0.440487 -0.143566
C 1.787277 -0.462029 0.075667
C 2.538447 0.726668 -0.122791
C 2.486094 -2.676196 -0.943317
C 2.588605 -2.331805 1.588940
C 4.666379 0.768065 -1.505766
C 4.767319 1.118685 1.024411
C -0.123750 0.802820 -0.017786
C -1.603835 0.906490 0.032063
C -2.381602 -0.260334 0.228924
C -2.248460 2.165508 -0.115885
C -3.782448 -0.138497 0.272888
C -3.655231 2.256417 -0.067320
C -4.442132 1.101748 0.128205
H 1.482654 -3.132407 -0.874716
H 2.588820 -2.185541 -1.926337
H 3.248611 -3.470078 -0.871946
H 2.783586 -1.602427 2.393680
H 1.580335 -2.759686 1.731128
H 3.336230 -3.139349 1.665659
H 4.140718 0.247429 -2.324362
H 4.628821 1.855638 -1.694650
H 5.718869 0.437581 -1.503960
H 5.817716 0.781600 1.034891
H 4.740862 2.216778 0.908557
H 4.308435 0.853096 1.992101
H -1.900850 -1.234478 0.344045
H -1.627774 3.053171 -0.266521
H -4.141378 3.230061 -0.182476
H -5.533687 1.140637 0.170044


