%chk=000031330.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031330

0 1
 O   -4.371300     -0.2237000       1.072500    
 N    2.905200      -1.121800      0.1647000    
 C   0.4897000      0.7697000      0.7234000    
 C    1.451500      0.6658000     -0.4539000    
 C    1.633000     -0.8737000     -0.4945000    
 C    1.290000      9.0300001E-02   1.938500    
 C   0.2182000       2.264700       1.014800    
 C    1.009200       1.429700      -1.716300    
 C  -0.7958000     -4.1499998E-02  0.2748000    
 C   0.6140000      -1.473800      -1.440300    
 C    2.742300     -0.5291000       1.560100    
 C  -0.2282000       3.051100     -0.2225000    
 C   0.7576000       2.900300      -1.380000    
 C  -0.7414000      -1.032900     -0.7948000    
 C   -2.028200      0.1907000      0.8980000    
 C    3.265800      -2.533700      0.2054000    
 C   -1.910600      -1.672800      -1.218300    
 C   -3.178300     -0.4732000      0.4618000    
 C   -3.122600      -1.386200     -0.5934000    
 H    2.399300       1.163900     -0.1926000    
 H    1.124000      -1.397000      0.3310000    
 H   0.6796000     -0.7128000       2.372900    
 H    1.449100      0.8199000       2.741800    
 H    1.141800       2.729100       1.387500    
 H  -0.5182000       2.389200       1.815800    
 H   9.5899999E-02   1.032200      -2.167400    
 H    1.791700       1.356100      -2.480700    
 H   0.6737000      -2.569100      -1.437300    
 H   0.7091000      -1.124900      -2.471800    
 H    3.476600      0.2823000       1.641200    
 H    3.008900      -1.260800       2.333100    
 H  -0.3220000       4.111800      3.7300002E-02
 H   -1.222400       2.718500     -0.5423000    
 H   0.3727000       3.420900      -2.264200    
 H    1.706700       3.382500      -1.115400    
 H   -2.112100      0.8918000       1.723100    
 H    4.240600      -2.660600      0.6883000    
 H    3.359900      -2.931500     -0.8109000    
 H    2.532600      -3.141800      0.7474000    
 H   -1.879200      -2.409300      -2.016300    
 H   -4.022000      -1.897200     -0.9281000    
 H   -5.061500     -0.7630000      0.6497000    


%chk=000031330-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031330

0 1
O -4.362776 -0.193229 1.131548
N 2.965523 -1.176410 0.111041
C 0.506179 0.770699 0.741903
C 1.460708 0.663379 -0.460622
C 1.602504 -0.893491 -0.427852
C 1.382110 0.085782 1.917022
C 0.159148 2.248310 1.061784
C 0.993271 1.419933 -1.722436
C -0.752076 -0.068112 0.257181
C 0.666590 -1.476212 -1.491890
C 2.850142 -0.425209 1.471369
C -0.296839 3.026110 -0.199185
C 0.736887 2.904310 -1.348476
C -0.695644 -1.009715 -0.861600
C -2.001821 0.153976 0.873134
C 3.197973 -2.628370 0.301445
C -1.890124 -1.624602 -1.289801
C -3.177769 -0.491352 0.427356
C -3.136666 -1.375474 -0.670355
H 2.437658 1.109193 -0.205502
H 0.998595 -1.260719 0.429628
H 0.812017 -0.730586 2.398203
H 1.567585 0.841466 2.706696
H 1.080903 2.724478 1.457060
H -0.598650 2.331473 1.864634
H 0.060769 1.001113 -2.142214
H 1.767939 1.351773 -2.511026
H 0.675760 -2.582290 -1.534993
H 0.815235 -1.090758 -2.516924
H 3.522737 0.449536 1.431961
H 3.232063 -1.093339 2.268001
H -0.452281 4.091833 0.058851
H -1.273981 2.634598 -0.544514
H 0.381239 3.461513 -2.236721
H 1.690653 3.377660 -1.033490
H -2.095399 0.846648 1.714922
H 4.158627 -2.787857 0.821772
H 3.264683 -3.114790 -0.688073
H 2.392270 -3.142866 0.886956
H -1.845552 -2.337535 -2.122208
H -4.045736 -1.875165 -1.029115
H -5.129554 -0.685599 0.746629


