%chk=000040964.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040964

0 1
 O   -3.070000       1.120800      -2.360000    
 O   -5.372600       1.090800     -0.8088000    
 O    2.300600       3.040000     -0.9466000    
 O    4.233700       2.912300       1.046400    
 O    2.085300      -2.215600     -0.9569000    
 N  -0.6526000      -1.811400       2.374800    
 N   0.8195000      -2.288400     -0.3588000    
 C   -1.864700     -0.6321000      0.6268000    
 C   -3.032100     -0.6498000       1.417600    
 C  -0.7174000      -1.224700       1.158100    
 C   0.5466000      -1.265800      0.4308000    
 C   -1.890400     -3.2699998E-02 -0.6433000    
 C   -4.205900     -6.3600004E-02  0.9165000    
 C    1.532200     -0.1448000      0.5932000    
 C   -3.064800      0.5450000      -1.125200    
 C   -4.220000      0.5295000     -0.3471000    
 C   -2.985900      -1.252300       2.680300    
 C   -1.789000      -1.809400       3.103600    
 C    1.447100      0.9251000     -0.2612000    
 C    2.471900     -0.2444000       1.587900    
 C    2.363300       1.966100     -0.1108000    
 C    3.334000       1.901700      0.8889000    
 C    3.388300      0.7965000       1.738200    
 C   -2.739100       2.506300      -2.430100    
 C   -6.254300      0.2465000      -1.546000    
 C    1.479000       4.132000     -0.5381000    
 C    2.254000      -3.363900      -1.773500    
 C    5.454000       2.813600      0.3148000    
 C    3.598800      -3.300900      -2.418000    
 C    4.550200      -4.226500      -2.253700    
 H   -1.033400     -5.8699999E-02  -1.305600    
 H   -5.116300     -6.7199998E-02   1.513300    
 H   -3.859500      -1.289700       3.323900    
 H   -1.713400      -2.285200       4.075900    
 H   0.7232000      0.9831000      -1.062300    
 H    2.517400      -1.103600       2.249400    
 H    4.141400      0.7398000       2.519500    
 H   -3.449300       3.102500      -1.848700    
 H   -2.793900       2.819100      -3.476400    
 H   -1.720300       2.675600      -2.066900    
 H   -5.760000     -0.1368000      -2.444200    
 H   -6.599400     -0.5847000     -0.9230000    
 H   -7.121300      0.8391000      -1.850300    
 H    1.832900       4.546900      0.4110000    
 H   0.4363000       3.812200     -0.4434000    
 H    1.537900       4.910300      -1.303700    
 H    2.145200      -4.267200      -1.161300    
 H    1.482700      -3.375000      -2.552400    
 H    6.060700       3.694900      0.5400000    
 H    6.009800       1.919700      0.6152000    
 H    5.257300       2.790000     -0.7617000    
 H    3.805500      -2.449300      -3.060800    
 H    5.508000      -4.123900      -2.752100    
 H    4.394100      -5.095800      -1.624600    


%chk=000040964-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040964

0 1
O -4.050042 -0.100257 -2.422457
O -6.134876 -0.563488 -0.440562
O 5.335947 1.032175 0.220391
O 4.640070 3.461196 1.704535
O 1.590159 -1.098692 -1.675176
N -0.333132 -0.482076 2.494500
N 0.452577 -1.155702 -0.762987
C -2.019820 -0.427623 0.701330
C -3.070241 -0.584905 1.691922
C -0.650338 -0.400443 1.179611
C 0.540088 -0.306274 0.255547
C -2.397955 -0.255565 -0.669079
C -4.435764 -0.641959 1.269308
C 1.634510 0.642692 0.593012
C -3.736448 -0.273551 -1.054335
C -4.773551 -0.517100 -0.076431
C -2.697343 -0.692310 3.069252
C -1.347537 -0.626459 3.416566
C 2.991345 0.414732 0.231888
C 1.319786 1.838921 1.300184
C 3.998588 1.328281 0.590813
C 3.675304 2.502894 1.329885
C 2.324553 2.756538 1.655749
C -4.833256 1.123395 -2.722646
C -6.497823 -1.656352 -1.377131
C 5.887947 1.947022 -0.804711
C 1.356804 -2.115209 -2.742146
C 5.736927 2.955520 2.565624
C 2.290918 -1.787288 -3.875792
C 3.183666 -2.664248 -4.397718
H -1.637287 -0.100788 -1.436066
H -5.235721 -0.798117 2.000493
H -3.465359 -0.818321 3.839689
H -1.023949 -0.694323 4.460609
H 3.279578 -0.471884 -0.334185
H 0.284996 2.041289 1.590675
H 2.089998 3.670872 2.209579
H -5.780189 1.136308 -2.153399
H -5.032425 1.084971 -3.804222
H -4.235231 2.022236 -2.481109
H -5.892159 -1.605168 -2.298934
H -6.352880 -2.635336 -0.883084
H -7.563911 -1.503246 -1.602096
H 5.864742 2.995641 -0.454102
H 5.313658 1.853898 -1.746055
H 6.926335 1.618713 -0.965513
H 1.542155 -3.124954 -2.331303
H 0.295946 -2.041225 -3.050650
H 6.419804 3.808693 2.696150
H 5.329329 2.644553 3.545945
H 6.255875 2.105571 2.088978
H 2.199448 -0.773836 -4.290200
H 3.819944 -2.397038 -5.248514
H 3.301540 -3.676373 -3.991032


