%chk=000128287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128287

0 1
 O  -0.3093000     -0.3318000      -1.828600    
 O   9.1399997E-02  -4.021500      0.2581000    
 O  -0.8364000       2.363500       1.029000    
 O    2.217400      -4.224800     -0.4828000    
 N   -2.134100       1.248800     -0.5430000    
 N   7.7100001E-02  -1.405400      0.1940000    
 N  -0.8933000       4.622300     -0.5404000    
 C   -3.114400      -1.011600     -0.3760000    
 C   -1.934900     -8.7800004E-02 -4.5899998E-02
 C   -4.475800     -0.5464000      0.1799000    
 C  -0.6549000     -0.6182000     -0.6841000    
 C    1.354800      -1.990600     -0.1430000    
 C   -5.619900      -1.475500     -0.2280000    
 C   -4.405600     -0.4542000       1.706700    
 C    2.449600      -1.523200      0.8248000    
 C    2.947400     -0.1302000      0.5228000    
 C   -1.564400       2.375900      3.8899999E-02
 C    1.278700      -3.510400     -0.1467000    
 C   -1.969400       3.650500     -0.6726000    
 C    4.020700      5.2999999E-02 -0.3491000    
 C    2.333800      0.9737000       1.115100    
 C    4.480700       1.339900     -0.6285000    
 C    2.793800       2.260600      0.8356000    
 C    3.867200       2.443600     -3.6200002E-02
 H   -2.894000      -2.022400     -7.1999999E-03
 H   -3.201400      -1.105900      -1.467300    
 H   -1.782100     -2.9600000E-02   1.037400    
 H   -4.706600      0.4503000     -0.2157000    
 H    1.606900      -1.707900      -1.172700    
 H   -5.696400      -1.536500      -1.318600    
 H   -6.577900      -1.108800      0.1553000    
 H   -5.464100      -2.488700      0.1575000    
 H   -3.729300      0.3411000       2.033600    
 H   -5.391300     -0.2206000       2.124400    
 H   -4.069900      -1.398000       2.149800    
 H   -2.677200       1.358900      -1.394600    
 H  -0.3125000      -1.623600       1.106600    
 H    3.310000      -2.205100      0.7925000    
 H    2.091900      -1.568600       1.862700    
 H   -2.152600       3.457100      -1.733900    
 H   -2.890800       4.028200     -0.2189000    
 H    4.505200     -0.7989000     -0.8188000    
 H    1.499000      0.8435000       1.798300    
 H    5.315800       1.482600      -1.308100    
 H    2.315700       3.120000       1.296400    
 H    4.224900       3.445700     -0.2541000    
 H   8.9800000E-02  -5.002300      0.2426000    
 H   -1.162900       5.488200      -1.005600    
 H  -0.7650000       4.859700      0.4428000    


%chk=000128287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128287

0 1
O -0.444686 -1.948793 -1.269873
O 0.755623 -3.289340 2.567435
O -0.932377 0.943661 2.311253
O 2.905650 -3.660347 1.780309
N -1.708697 0.901543 0.122292
N 0.241209 -1.282691 0.862649
N -0.123735 3.552015 2.097174
C -3.067906 -0.910790 -0.918230
C -1.979095 -0.557422 0.109992
C -4.442016 -0.229525 -0.688619
C -0.660729 -1.338088 -0.178854
C 1.574961 -1.859424 0.752049
C -5.400336 -0.593482 -1.847757
C -5.066633 -0.610529 0.675514
C 2.707692 -0.789906 0.929156
C 2.665865 0.284195 -0.147209
C -1.230259 1.557302 1.228605
C 1.833477 -3.018456 1.720570
C -1.109810 3.082976 1.120448
C 3.054232 -0.018205 -1.478681
C 2.236888 1.601525 0.152383
C 3.016926 0.970565 -2.485665
C 2.200253 2.595346 -0.853705
C 2.590132 2.284331 -2.176219
H -3.196010 -2.009927 -0.901380
H -2.687985 -0.676378 -1.932346
H -2.303869 -0.817998 1.134498
H -4.297441 0.872224 -0.698893
H 1.645969 -2.283747 -0.268994
H -4.976590 -0.305532 -2.828145
H -6.375616 -0.085297 -1.734056
H -5.588624 -1.684128 -1.870770
H -4.447427 -0.274491 1.527239
H -6.065553 -0.150654 0.790760
H -5.190319 -1.708000 0.755636
H -1.792253 1.406430 -0.763344
H -0.022734 -0.743335 1.702034
H 3.669508 -1.334643 0.908494
H 2.607755 -0.331428 1.931126
H -0.805107 3.351629 0.088528
H -2.138957 3.495181 1.271824
H 3.390803 -1.032386 -1.729181
H 1.924202 1.869689 1.169062
H 3.322694 0.719463 -3.507676
H 1.875867 3.608842 -0.589590
H 2.568792 3.054439 -2.956016
H 1.000737 -4.048343 3.164636
H -0.159004 4.550967 2.308367
H -0.090064 2.949563 2.927570


