%chk=000002031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002031

0 1
 O    1.024200      0.2549000     -0.3933000    
 O  -0.1614000       1.882600      0.7222000    
 N    4.681500      0.6075000     -0.1014000    
 C    3.402400      2.7100001E-02 -0.5088000    
 C   -1.345400      0.1755000     -0.5661000    
 C    4.781300      0.6521000       1.356900    
 C    5.792700     -0.1569000     -0.6667000    
 C    2.243300      0.8434000      4.0399998E-02
 C   -2.648300      0.9165000     -0.2938000    
 C   -1.441500      -1.299700     -0.2001000    
 C  -0.1260000      0.8789000      2.1700000E-02
 C    6.078400       1.308400       1.798600    
 C    5.705100     -0.2137000      -2.182400    
 C   -3.354900      0.6206000      0.8531000    
 C   -2.048700      -2.167100      -1.084300    
 C   -3.079800       1.860200      -1.202400    
 C  -0.9181000      -1.722700       1.004200    
 C   -4.547800       1.299200       1.102800    
 C   -2.136600      -3.518300     -0.7493000    
 C   -4.272700       2.538900     -0.9526000    
 C   -1.005900      -3.073900       1.339100    
 C   -5.006600       2.258300      0.1999000    
 C   -1.615200      -3.971700      0.4623000    
 H    3.280300      2.8600000E-02  -1.597500    
 H    3.306000      -1.019100     -0.1882000    
 H   -1.175100      0.2153000      -1.654100    
 H    4.002000       1.284000       1.790400    
 H    4.693800     -0.3441000       1.808000    
 H    6.747900      0.3296000     -0.4438000    
 H    5.837500      -1.176200     -0.2625000    
 H    2.297300       1.878900     -0.3171000    
 H    2.210700      0.8346000       1.132700    
 H    6.945600      0.6550000       1.662100    
 H    6.256700       2.252100       1.271600    
 H    6.028200       1.537900       2.869100    
 H    4.940000     -0.9134000      -2.532700    
 H    5.514900      0.7735000      -2.617600    
 H    6.658500     -0.5694000      -2.590000    
 H   -3.019600     -9.9799998E-02   1.590000    
 H   -2.458000      -1.822400      -2.029200    
 H   -2.514000       2.087600      -2.100800    
 H  -0.4534000      -1.044000       1.712200    
 H   -5.116900       1.085100       2.002800    
 H   -2.611400      -4.217300      -1.431600    
 H   -4.629500       3.286600      -1.655000    
 H  -0.6035000      -3.426700       2.284200    
 H   -5.934600       2.787700      0.3951000    
 H   -1.684500      -5.023600      0.7237000    


%chk=000002031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002031

0 1
O 1.146472 -0.148125 -0.316520
O 0.010181 0.376145 1.644058
N 4.791200 0.723135 -0.218961
C 3.498475 0.248628 -0.771526
C -1.188584 -0.711292 -0.254655
C 5.502374 -0.326995 0.560464
C 5.651347 1.407614 -1.219822
C 2.388694 0.451378 0.266444
C -2.194436 0.414126 -0.573746
C -1.827491 -1.893915 0.491815
C 0.010592 -0.111155 0.490048
C 6.443739 0.250643 1.634235
C 5.149727 2.821216 -1.570369
C -3.006601 0.988393 0.435727
C -2.383636 -2.946063 -0.280694
C -2.298885 0.898583 -1.900955
C -1.919709 -1.962095 1.905398
C -3.909051 2.026834 0.118874
C -3.022369 -4.041439 0.340110
C -3.204530 1.936106 -2.219657
C -2.555342 -3.061322 2.526766
C -4.013178 2.503777 -1.209131
C -3.110933 -4.103069 1.750195
H 3.247041 0.828009 -1.677088
H 3.531521 -0.823874 -1.075361
H -0.794830 -1.085159 -1.215211
H 4.737160 -0.947428 1.063942
H 6.071298 -1.017137 -0.113172
H 6.664636 1.492662 -0.787637
H 5.755939 0.799019 -2.153781
H 2.212783 1.521417 0.469522
H 2.609409 -0.053585 1.223802
H 7.253368 0.859022 1.192076
H 5.876462 0.893511 2.329385
H 6.917466 -0.565900 2.210553
H 4.138503 2.801472 -2.016371
H 5.106945 3.444547 -0.660401
H 5.827121 3.302392 -2.300473
H -2.931922 0.623910 1.465197
H -2.321112 -2.903205 -1.375281
H -1.668571 0.464245 -2.686872
H -1.481183 -1.165006 2.514766
H -4.532182 2.463966 0.907273
H -3.446291 -4.844551 -0.273357
H -3.277941 2.298761 -3.251192
H -2.614910 -3.102677 3.620394
H -4.716363 3.308159 -1.452674
H -3.603503 -4.953081 2.235665


