%chk=000048086.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048086

0 1
 O    4.330600      -2.716800       1.216500    
 O   0.5789000      0.6268000     -0.5953000    
 O  -0.5240000     -0.8554000      -1.968700    
 N    3.977800     -4.5100000E-02  0.3005000    
 C    2.734400       1.690100      -1.052300    
 C    3.310200       1.254700      0.3225000    
 C    1.633400      0.7236000      -1.544400    
 C    4.595900     -0.3363000       1.601500    
 C    3.032100      -1.111400     -5.7500001E-02
 C    3.844700       1.758500      -2.117900    
 C    2.136100       3.102900     -0.8854000    
 C    5.275700      -1.701900       1.557500    
 C    3.747900      -2.459100     -6.1500002E-02
 C   -1.478300     -0.2577000      0.2011000    
 C  -0.4571000     -0.2085000     -0.9310000    
 C   -2.058000       1.102100      0.5673000    
 C   -2.566900      -1.299500     -2.4499999E-02
 C   -2.457900       1.327200       1.868200    
 C   -3.714300     -0.9287000     -0.6939000    
 C   -2.164600       2.066700     -0.4132000    
 C   -2.370300      -2.580500      0.4473000    
 C   -2.988700       2.572700       2.203700    
 C   -4.710900      -1.882400     -0.9008000    
 C   -2.695200       3.312200     -7.7399999E-02
 C   -3.367100      -3.534200      0.2403000    
 C   -3.107200       3.565200       1.231000    
 C   -4.537200      -3.185100     -0.4338000    
 H    4.041200       2.013400      0.6349000    
 H    2.515900       1.267100       1.082000    
 H    1.161700       1.287900      -2.368800    
 H    1.875300     -0.1668000      -2.123600    
 H    3.834700     -0.3339000       2.392500    
 H    5.345200      0.4248000       1.847300    
 H    2.770900      -1.113500      -1.092100    
 H    2.163000      -1.145600      0.6076000    
 H    4.656600       2.421900      -1.799600    
 H    4.277000      0.7721000      -2.316900    
 H    3.455800       2.142100      -3.068000    
 H    2.902300       3.819800     -0.5688000    
 H    1.710900       3.472500      -1.825400    
 H    1.341000       3.116800     -0.1316000    
 H    5.685100      -1.946300       2.542900    
 H    6.105400      -1.718100      0.8403000    
 H    4.530400      -2.505900     -0.8299000    
 H    3.034700      -3.264100     -0.2687000    
 H  -0.8911000     -0.5904000       1.072300    
 H   -2.369800      0.5598000       2.631500    
 H   -3.876000      6.6000000E-02  -1.092700    
 H   -1.866700       1.892300      -1.442100    
 H   -1.461600      -2.862500      0.9703000    
 H   -3.309900       2.769600       3.222300    
 H   -5.619900      -1.612500      -1.430600    
 H   -2.790900       4.084200     -0.8355000    
 H   -3.231500      -4.548900      0.6028000    
 H   -3.521200       4.534700       1.492000    
 H   -5.312600      -3.928100     -0.5963000    


%chk=000048086-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048086

0 1
O 3.606755 -3.634084 -0.632119
O 0.768467 1.486978 -0.066330
O -0.512941 1.095169 -1.967088
N 3.410997 -0.827243 0.076235
C 3.224736 1.718930 -0.027952
C 3.364811 0.434432 0.854624
C 1.986642 1.598849 -0.933161
C 4.713743 -1.535826 0.107566
C 2.297866 -1.769961 0.358847
C 4.449491 1.856024 -0.968279
C 3.118208 2.954725 0.899525
C 4.701956 -2.690298 -0.909652
C 2.316948 -2.919410 -0.660624
C -1.556402 1.019726 0.300262
C -0.428722 1.212555 -0.722283
C -2.829939 1.821839 -0.010231
C -1.822128 -0.495624 0.436604
C -3.619709 2.255969 1.086175
C -2.436783 -1.230490 -0.608408
C -3.270345 2.113391 -1.326181
C -1.428147 -1.173246 1.616774
C -4.823892 2.962525 0.877915
C -2.654300 -2.618675 -0.470045
C -4.473994 2.825388 -1.534066
C -1.649978 -2.562468 1.757949
C -5.256723 3.250754 -0.437299
C -2.263561 -3.289978 0.713049
H 4.284075 0.543584 1.470009
H 2.510459 0.408285 1.560325
H 1.862221 2.486204 -1.580761
H 2.050740 0.691931 -1.560003
H 4.931831 -1.950563 1.124195
H 5.523083 -0.828614 -0.151531
H 1.334825 -1.234102 0.287947
H 2.375928 -2.198718 1.389658
H 5.378360 1.964634 -0.377411
H 4.546920 0.963839 -1.612948
H 4.359389 2.747230 -1.617754
H 4.010508 3.032672 1.549083
H 3.049764 3.887212 0.308543
H 2.223208 2.894131 1.543530
H 5.627774 -3.286588 -0.849415
H 4.588282 -2.275717 -1.935263
H 2.136489 -2.514732 -1.679952
H 1.552441 -3.676651 -0.421509
H -1.156520 1.370771 1.267078
H -3.291752 2.033807 2.109528
H -2.741706 -0.717566 -1.526563
H -2.663747 1.797897 -2.180651
H -0.948075 -0.612499 2.428468
H -5.419851 3.289588 1.737501
H -3.130388 -3.177375 -1.283687
H -4.798959 3.047966 -2.556865
H -1.345800 -3.072871 2.678709
H -6.189463 3.801441 -0.603208
H -2.437189 -4.366651 0.819042


