%chk=000027443.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027443

0 1
 O    1.526300      -1.029900     -9.7000003E-03
 O  -0.3008000       2.550500     -0.6511000    
 N   -4.731500      9.6400000E-02  0.1979000    
 C   -4.093000     -0.9733000     -0.5709000    
 C   -2.608600     -0.9695000     -0.4248000    
 C  -0.5125000      0.2270000     -0.3718000    
 C   -4.429700     -4.8599999E-02   1.620900    
 C   -6.176700      8.9599997E-02 -2.2700001E-02
 C   -1.903200      0.2316000     -0.5098000    
 C   0.1662000     -0.9671000     -0.1511000    
 C   -1.928500      -2.167300     -0.2033000    
 C   0.2569000       1.477900     -0.4560000    
 C    1.735700       1.371400     -0.2933000    
 C  -0.5403000      -2.167500     -6.6399999E-02
 C    2.255300      0.1438000     -9.0800002E-02
 C   -5.079300       1.047300       2.440300    
 C   -6.516100      0.2982000      -1.484200    
 C    3.696100     -9.0400003E-02  7.6399997E-02
 C    2.493800       2.665500     -0.3637000    
 C    4.266100     -5.2999999E-02   1.349100    
 C    4.494800     -0.3499000      -1.037600    
 C    5.634000     -0.2752000       1.507700    
 C    5.862600     -0.5724000     -0.8789000    
 C    6.432200     -0.5351000      0.3937000    
 H   -4.270500     -0.8568000      -1.645900    
 H   -4.506500      -1.949700     -0.2834000    
 H   -4.754500      -1.024900       2.004300    
 H   -3.354000      2.5800001E-02   1.811700    
 H   -6.642900     -0.8359000      0.3384000    
 H   -6.653100      0.9232000      0.5033000    
 H   -2.428900       1.164600     -0.6965000    
 H   -2.466500      -3.109200     -0.1361000    
 H  -1.7400000E-02  -3.104400      0.1055000    
 H   -4.903100       2.038500       2.008400    
 H   -6.156100      0.8976000       2.566200    
 H   -4.649800       1.053400       3.448800    
 H   -5.961500       1.139000      -1.915200    
 H   -6.333800     -0.5952000      -2.089200    
 H   -7.583100      0.5275000      -1.584700    
 H    2.146000       3.350800      0.4166000    
 H    2.338100       3.142300      -1.337400    
 H    3.572000       2.542800     -0.2309000    
 H    3.656900      0.1479000       2.227100    
 H    4.065300     -0.3825000      -2.036000    
 H    6.077700     -0.2461000       2.498600    
 H    6.484200     -0.7747000      -1.746300    
 H    7.497300     -0.7082000      0.5173000    


%chk=000027443-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027443

0 1
O 1.601940 -1.014574 0.126731
O -0.504956 2.502395 -0.613005
N -4.852099 -0.104915 0.302233
C -4.134896 -1.337860 -0.089144
C -2.615332 -1.212104 0.004672
C -0.557271 0.124045 -0.181428
C -4.807934 0.128650 1.772506
C -6.223607 -0.032184 -0.266833
C -1.971550 0.018777 -0.219582
C 0.199384 -1.043444 0.085487
C -1.820472 -2.363858 0.278039
C 0.136205 1.417797 -0.397169
C 1.618435 1.389158 -0.331137
C -0.417299 -2.291603 0.316053
C 2.290426 0.197513 -0.100150
C -5.021693 1.604383 2.157808
C -6.236918 0.302085 -1.771053
C 3.752636 -0.035704 -0.016762
C 2.308909 2.727414 -0.481385
C 4.257876 -1.004495 0.895467
C 4.669248 0.659378 -0.852306
C 5.642863 -1.249609 0.987692
C 6.054474 0.407378 -0.761177
C 6.548601 -0.542096 0.162605
H -4.400236 -1.563410 -1.140237
H -4.464242 -2.227392 0.508954
H -5.549417 -0.518945 2.307352
H -3.806527 -0.181350 2.123798
H -6.792456 -0.980064 -0.082671
H -6.765745 0.765041 0.271812
H -2.563028 0.918272 -0.416235
H -2.313775 -3.325838 0.464288
H 0.202398 -3.169359 0.520831
H -4.260172 2.237000 1.669906
H -6.018326 1.977161 1.859109
H -4.935309 1.729237 3.253246
H -5.711410 1.255709 -1.951156
H -5.743310 -0.478238 -2.378774
H -7.277377 0.395424 -2.134462
H 1.631021 3.511126 -0.103001
H 2.496263 2.972171 -1.544572
H 3.267958 2.770119 0.059634
H 3.556557 -1.557623 1.527185
H 4.298315 1.370832 -1.595097
H 6.016413 -1.991865 1.701593
H 6.746172 0.945525 -1.418371
H 7.624864 -0.734261 0.233205


