%chk=000028888.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028888

0 1
 O  -0.6037000      -2.431200      0.6501000    
 N    1.388100       3.437700      0.1273000    
 N   -1.123000     -0.1193000      0.4978000    
 C  -0.2000000       1.771200     -0.7892000    
 C   0.2603000       3.231600     -0.7733000    
 C  -0.6699000       1.243000      0.5648000    
 C   -2.513700     -0.3549000      0.1025000    
 C    2.630900       2.966300     -0.4863000    
 C    1.506100       4.850900      0.4910000    
 C  -0.2628000      -1.246200      0.6975000    
 C   -3.555200      9.3800001E-02  0.9148000    
 C   -2.796500      -1.027400      -1.086400    
 C    1.201100     -0.8947000      0.9421000    
 C    3.804500       3.114200      0.4672000    
 C    1.787900       5.710300     -0.7298000    
 C   -4.879500     -0.1299000      0.5377000    
 C   -4.120700      -1.250900      -1.463400    
 C   -3.284500      0.8170000       2.194200    
 C   -1.702600      -1.519600      -1.978000    
 C    2.161800      -1.942000      0.4325000    
 C   -5.162200     -0.8022000     -0.6513000    
 C    2.561100      -2.986800       1.266200    
 C    2.649900      -1.865300     -0.8720000    
 C    3.448600      -3.954500      0.7955000    
 C    3.537300      -2.833200      -1.342600    
 C    3.936500      -3.877700     -0.5088000    
 H   0.5760000       1.125600      -1.213500    
 H   -1.036900       1.703600      -1.497800    
 H   0.4871000       3.533100      -1.803800    
 H  -0.6015000       3.831900     -0.4519000    
 H   -1.470800       1.904200      0.8997000    
 H   0.1107000       1.339000       1.325600    
 H    2.545800       1.893600     -0.6928000    
 H    2.858100       3.431600      -1.452000    
 H   0.5691000       5.184300      0.9560000    
 H    2.264200       5.015400       1.263900    
 H    1.332600     -0.7609000       2.023100    
 H    1.498300      4.5000002E-02  0.4783000    
 H    4.136700       4.151600      0.5690000    
 H    3.570900       2.716900       1.461100    
 H    4.660500       2.546800      8.4500000E-02
 H    2.773000       5.531400      -1.169300    
 H    1.027200       5.627100      -1.510800    
 H    1.786500       6.762700     -0.4204000    
 H   -5.701100      0.2160000       1.159400    
 H   -4.356300      -1.775200      -2.385800    
 H   -2.347600      0.5104000       2.669000    
 H   -4.068600      0.5894000       2.926900    
 H   -3.290400       1.899800       2.038200    
 H   -2.039300      -1.524300      -3.021800    
 H  -0.8158000     -0.8809000      -1.963300    
 H   -1.424300      -2.545900      -1.722200    
 H   -6.193200     -0.9763000     -0.9448000    
 H    2.186400      -3.058400       2.283800    
 H    2.344100      -1.057600      -1.531800    
 H    3.759100      -4.768200       1.444400    
 H    3.916700      -2.773900      -2.358600    
 H    4.627100      -4.631400     -0.8755000    


%chk=000028888-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028888

0 1
O -1.263111 -2.592900 1.528262
N 1.553590 3.071905 -0.301728
N -1.127693 -0.383475 0.807840
C -0.050747 1.189191 -0.874510
C 0.355043 2.665946 -1.085524
C -0.413672 0.905808 0.602109
C -2.498632 -0.440605 0.308037
C 2.814848 2.605290 -0.936384
C 1.545092 4.508911 0.083717
C -0.595674 -1.514367 1.428735
C -3.513063 0.272977 1.010001
C -2.797026 -1.188828 -0.868024
C 0.839070 -1.454059 1.988127
C 4.063457 2.828791 -0.064265
C 1.695319 5.540125 -1.069165
C -4.829849 0.266076 0.486272
C -4.125743 -1.167759 -1.358579
C -3.228296 1.002338 2.312154
C -1.746618 -2.031354 -1.562224
C 1.912251 -1.694073 0.926000
C -5.136036 -0.439434 -0.695552
C 1.839456 -2.831894 0.079197
C 3.012567 -0.812609 0.789509
C 2.845739 -3.078140 -0.880085
C 4.023290 -1.059585 -0.168678
C 3.943488 -2.193537 -1.007834
H 0.755226 0.504674 -1.199643
H -0.930359 0.984920 -1.515841
H 0.492179 2.847369 -2.180701
H -0.491125 3.306281 -0.764982
H -1.066859 1.723179 0.964274
H 0.499738 0.937347 1.212191
H 2.706604 1.521321 -1.121858
H 2.974241 3.081481 -1.937917
H 0.594371 4.697821 0.618572
H 2.351003 4.672171 0.822954
H 0.870723 -2.269618 2.732747
H 1.037505 -0.510897 2.526799
H 4.306984 3.899759 0.054547
H 3.914709 2.396673 0.942015
H 4.939810 2.340691 -0.528960
H 2.659857 5.423873 -1.596215
H 0.884577 5.437792 -1.813546
H 1.655267 6.568744 -0.664855
H -5.619089 0.805683 1.023532
H -4.365765 -1.737337 -2.264114
H -2.416414 0.514618 2.878011
H -4.129744 1.020749 2.948659
H -2.929295 2.055757 2.142035
H -2.074110 -2.318144 -2.576234
H -0.775800 -1.511862 -1.639274
H -1.569427 -2.953368 -0.977266
H -6.158946 -0.435914 -1.088585
H 0.993862 -3.522164 0.184383
H 3.081742 0.071025 1.436410
H 2.777704 -3.962333 -1.524167
H 4.871091 -0.369941 -0.254594
H 4.726790 -2.388491 -1.748886


