%chk=000041722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041722

0 1
 O    1.031900      -2.216900      0.3512000    
 O  -0.5468000       1.153000      -1.537800    
 N   -2.567600     -2.5100000E-02 -0.1619000    
 C   -1.234100     -0.6110000     -2.8100001E-02
 C   -2.611200       1.302500      0.4671000    
 C   -3.581900     -0.9193000      0.4138000    
 C   -3.985700       1.950700      0.2931000    
 C   -4.988100     -0.3438000      0.2384000    
 C   -5.093500       1.054900      0.8355000    
 C   -1.193300      -2.015100     -0.6259000    
 C  -0.2310000      0.3030000     -0.7101000    
 C   0.2253000      -2.553000     -0.7783000    
 C    1.200900      0.1476000     -0.3275000    
 C    1.727400      -1.043700      0.1966000    
 C    2.033100       1.267900     -0.4629000    
 C    3.057200      -1.082900      0.6311000    
 C    3.365600       1.210100     -5.2299999E-02
 C    3.875000      3.8699999E-02  0.5018000    
 C    4.223000       2.423800     -0.2039000    
 C    5.294000     -4.1299999E-02  0.9602000    
 H  -0.9742000     -0.6609000       1.039300    
 H   -1.890400       2.014500      5.8800001E-02
 H   -2.389500       1.222100       1.540400    
 H   -3.387600      -1.105200       1.478200    
 H   -3.609200      -1.887400     -9.5399998E-02
 H   -4.165000       2.153400     -0.7704000    
 H   -4.008600       2.916200      0.8113000    
 H   -5.721400      -1.004200      0.7150000    
 H   -5.239500     -0.3045000     -0.8294000    
 H   -5.013200      0.9935000       1.927700    
 H   -6.073500       1.488500      0.6080000    
 H   -1.691000      -2.062300      -1.602500    
 H   -1.712600      -2.711300      4.4300001E-02
 H   0.1908000      -3.646900     -0.8421000    
 H   0.6848000      -2.213500      -1.716800    
 H    1.638200       2.197300     -0.8678000    
 H    3.452800      -2.003600       1.054800    
 H    4.549500       2.788500      0.7754000    
 H    5.099800       2.203500     -0.8216000    
 H    3.685000       3.243400     -0.6929000    
 H    5.494900      0.7110000       1.729900    
 H    5.524700      -1.018500       1.398700    
 H    5.979100      0.1060000      0.1190000    


%chk=000041722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041722

0 1
O 1.141099 -2.367535 0.156435
O -0.542258 1.053396 -1.733118
N -2.595042 -0.046456 -0.111826
C -1.239583 -0.646408 -0.070388
C -2.623698 1.307804 0.512179
C -3.652901 -0.910249 0.479601
C -3.990035 1.991331 0.311204
C -5.053286 -0.293312 0.278762
C -5.131865 1.124487 0.884208
C -1.235887 -2.107994 -0.612352
C -0.203103 0.202630 -0.863059
C 0.170133 -2.618801 -0.941900
C 1.235435 0.051928 -0.454630
C 1.801192 -1.125458 0.111811
C 2.072699 1.199162 -0.559627
C 3.119078 -1.111319 0.620006
C 3.391287 1.228828 -0.069878
C 3.917890 0.049579 0.555474
C 4.231934 2.487122 -0.191557
C 5.326731 0.034754 1.116608
H -0.848879 -0.693746 0.981726
H -1.838432 1.925282 0.049033
H -2.405722 1.235984 1.612126
H -3.476504 -1.071267 1.578381
H -3.632853 -1.899975 -0.005653
H -4.146930 2.148093 -0.772938
H -3.971478 2.986909 0.795300
H -5.810481 -0.960020 0.735631
H -5.260585 -0.241601 -0.807571
H -5.031076 1.061443 1.987976
H -6.116558 1.583635 0.674604
H -1.848405 -2.142594 -1.534788
H -1.695841 -2.776558 0.136128
H 0.169845 -3.715299 -1.058374
H 0.562785 -2.154536 -1.867945
H 1.636371 2.090600 -1.024478
H 3.516143 -2.040226 1.042310
H 4.556604 2.861270 0.798727
H 5.152233 2.307679 -0.780595
H 3.668297 3.294241 -0.688597
H 5.453329 0.802739 1.903914
H 5.575943 -0.945560 1.555306
H 6.076474 0.259714 0.333826


