%chk=000100335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100335

0 1
 O   0.9847000       1.729900     -0.1964000    
 O   -1.113300       2.624500     -0.1238000    
 N    5.446100     -0.1066000     -0.2961000    
 N   -3.052400     -7.7100001E-02  0.9006000    
 N   -3.214300      2.7200000E-02  -1.313700    
 C    4.048200     -0.2937000     -0.3042000    
 C   -2.390600      7.2999999E-02 -0.2880000    
 C    1.273400     -0.6787000     -0.3197000    
 C  -0.9715000      0.2521000     -0.2699000    
 C    1.819600      0.5981000     -0.2562000    
 C   -4.386700     -0.2294000      0.6236000    
 C    6.339500      -1.246500     -0.3537000    
 C    6.007500       1.228700     -0.2442000    
 C    3.197100      0.8076000     -0.2477000    
 C  -0.1731000     -0.8244000     -0.3281000    
 C   -4.462000     -0.1607000     -0.7648000    
 C    3.517900      -1.584200     -0.3680000    
 C    2.133600      -1.778100     -0.3761000    
 C  -0.4042000       1.625700     -0.1928000    
 C   -2.472300     -7.9099998E-02   2.227100    
 C   -5.500500     -0.4160000       1.443300    
 C    6.485200      -1.865800       1.023100    
 C    6.188300       1.663600       1.197400    
 C   -5.714600     -0.2831000      -1.389600    
 C   -6.739100     -0.5360000      0.8045000    
 C   -6.846400     -0.4710000     -0.5865000    
 H    6.032100      -1.984900      -1.102800    
 H    7.336700     -0.9285000     -0.6838000    
 H    6.997900       1.230800     -0.7182000    
 H    5.444800       1.965200     -0.8268000    
 H    3.540500       1.832900     -0.1771000    
 H  -0.5785000      -1.830800     -0.3860000    
 H    4.125800      -2.481000     -0.4150000    
 H    1.740100      -2.790400     -0.4271000    
 H   -1.872900     -0.9864000       2.338200    
 H   -1.851700      0.8131000       2.343400    
 H   -3.254300     -6.2199999E-02   2.987900    
 H   -5.428000     -0.4698000       2.523300    
 H    6.957100      -1.175100       1.727200    
 H    5.530700      -2.174300       1.458200    
 H    7.124100      -2.753400      0.9637000    
 H    5.252300       1.615900       1.762600    
 H    6.926400       1.045500       1.715600    
 H    6.549100       2.696800       1.232300    
 H   -5.808600     -0.2341000      -2.469700    
 H   -7.634900     -0.6832000       1.403000    
 H   -7.823000     -0.5677000      -1.054100    


%chk=000100335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100335

0 1
O 1.066797 1.578949 0.526816
O -0.997234 2.533798 0.828799
N 5.544921 -0.034412 -0.385104
N -3.339408 0.438606 1.050933
N -2.981041 -0.787162 -0.860184
C 4.168525 -0.252658 -0.345493
C -2.401782 -0.035762 0.110180
C 1.312639 -0.699187 -0.341334
C -0.946611 0.179537 0.159835
C 1.889464 0.534611 0.091816
C -4.597744 -0.021845 0.632980
C 6.480226 -1.100880 -0.810613
C 6.124451 1.244341 0.086699
C 3.269924 0.765205 0.104853
C -0.108029 -0.842588 -0.288513
C -4.352768 -0.792692 -0.555700
C 3.597834 -1.508116 -0.778758
C 2.218091 -1.711875 -0.777130
C -0.389193 1.484839 0.527441
C -3.091070 1.162887 2.304424
C -5.891823 0.143798 1.170646
C 6.789451 -2.155636 0.279084
C 6.258328 1.358373 1.624270
C -5.430229 -1.413227 -1.231048
C -6.951735 -0.486139 0.484280
C -6.724997 -1.252489 -0.698473
H 6.081551 -1.597077 -1.715395
H 7.420251 -0.609474 -1.120287
H 7.122823 1.345511 -0.375932
H 5.517101 2.082828 -0.303595
H 3.616514 1.736281 0.461832
H -0.577393 -1.776044 -0.618140
H 4.245725 -2.318977 -1.118259
H 1.812598 -2.672391 -1.115422
H -2.123602 0.854066 2.731416
H -3.058214 2.250947 2.137448
H -3.887037 0.910265 3.025073
H -6.080894 0.740628 2.069125
H 7.276899 -1.692321 1.154550
H 5.868754 -2.654822 0.627770
H 7.469685 -2.929190 -0.123004
H 5.280210 1.245381 2.122513
H 6.935712 0.583127 2.022914
H 6.669762 2.347797 1.896295
H -5.249001 -1.997329 -2.138515
H -7.973974 -0.380013 0.864305
H -7.578656 -1.721070 -1.200499


