%chk=000072447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072447

0 1
 O    2.809400      7.7399999E-02   2.516600    
 O    2.431600      0.8434000      -2.202000    
 O   -2.601700     -0.1356000      -1.501400    
 O   -1.913100       2.921800      0.2244000    
 O   -3.935000       3.919100     -3.1099999E-02
 N   -1.377600      -2.429900     -0.6610000    
 N   -2.858700      0.5216000      0.7068000    
 N   -1.207400      -4.729800     -0.8285000    
 N  -0.7805000      -3.809500       1.212600    
 C    4.020600       1.071200      0.1440000    
 C    2.650700      0.4728000      0.1568000    
 C   0.1120000     -0.6341000      0.1805000    
 C   -1.273300      -1.238200      0.1938000    
 C    2.106800      1.1000000E-03   1.351500    
 C    1.916400      0.3867000      -1.026100    
 C   0.8282000     -0.5563000       1.363500    
 C   0.6377000     -0.1707000      -1.014000    
 C    4.010000       2.548300     -0.2884000    
 C    4.999800      0.2734000     -0.7354000    
 C   -2.307800     -0.2449000     -0.3122000    
 C   -3.870700       1.562500      0.4549000    
 C   -1.131300      -3.567900     -9.7099997E-02
 C   -3.266100       2.917500      0.1919000    
 H    4.469600       1.055600       1.141800    
 H   -1.577000      -1.468700       1.222600    
 H   0.4094000     -0.9186000       2.298200    
 H   7.2499998E-02 -0.2433000      -1.939000    
 H    3.749500       2.689200      -1.341000    
 H    5.003000       2.989200     -0.1435000    
 H    3.300400       3.125300      0.3153000    
 H    5.000700     -0.7861000     -0.4553000    
 H    6.019700      0.6521000     -0.6019000    
 H    4.773100      0.3388000      -1.803100    
 H   -2.538600      0.4000000       1.662900    
 H    3.199600      0.9647000       2.586400    
 H    1.781200      0.7016000      -2.911000    
 H   -4.493800       1.621000       1.351400    
 H   -4.470600       1.269500     -0.4114000    
 H   -1.454900      -4.714000      -1.811900    
 H   -1.018200      -5.633800     -0.4098000    
 H  -0.6178000      -4.757700       1.534800    
 H  -0.6427000      -3.078000       1.898600    
 H   -1.544000       3.813600      4.9300000E-02


%chk=000072447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072447

0 1
O 3.843834 0.393021 2.251483
O 2.204911 0.281593 -2.365679
O -1.535974 2.112469 1.839107
O -4.956960 0.201211 -1.115864
O -5.849765 2.345157 -1.164705
N -1.686055 -1.407489 0.816555
N -2.893959 0.845521 0.424737
N -2.087061 -3.709462 0.663827
N -0.135609 -3.006734 1.765743
C 4.518251 0.562755 -0.671899
C 3.105317 0.343635 -0.121264
C 0.440964 -0.052036 0.912647
C -0.977935 -0.273560 1.457220
C 2.836763 0.275626 1.275506
C 1.972224 0.207944 -0.972679
C 1.532400 0.080923 1.791752
C 0.666493 0.003959 -0.482409
C 4.646404 1.914704 -1.425926
C 5.003963 -0.629259 -1.541224
C -1.824356 1.017645 1.265573
C -3.809695 1.938677 0.141094
C -1.289881 -2.638009 1.076645
C -4.966192 1.560069 -0.762814
H 5.228999 0.621918 0.184944
H -0.893928 -0.408507 2.558844
H 1.394654 0.083874 2.877548
H -0.179739 -0.116759 -1.170783
H 4.002880 1.916186 -2.320677
H 5.692639 2.076294 -1.746371
H 4.345465 2.759961 -0.781133
H 4.961583 -1.577797 -0.975563
H 6.048392 -0.464533 -1.865770
H 4.370478 -0.730025 -2.437153
H -3.045302 -0.120201 0.091897
H 4.722850 0.564424 1.828136
H 1.347497 0.209174 -2.853866
H -3.280238 2.791561 -0.329212
H -4.236081 2.355660 1.076826
H -2.982461 -3.463847 0.247224
H -1.663682 -4.600414 0.412793
H -0.045028 -3.929300 2.183427
H 0.613728 -2.327971 1.895779
H -5.739692 0.012245 -1.700817


