%chk=000049501.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049501

0 1
 O  -0.4424000     -0.6707000      0.7817000    
 O    2.129100       3.203700     -0.2213000    
 O   -3.848800       1.101700     -0.5542000    
 N    2.148700     -0.8207000      0.2970000    
 C    3.315400      -1.496000      0.8825000    
 C    2.206800     -0.8371000      -1.171300    
 C    3.403400      -2.949800      0.4156000    
 C    2.258700      -2.269300      -1.705400    
 C    3.427300      -3.043100      -1.105700    
 C    2.052100      0.5531000      0.7898000    
 C   0.8307000       1.251700      0.2827000    
 C  -0.4067000      0.6063000      0.2926000    
 C   0.9305000       2.555700     -0.2027000    
 C   -1.537100       1.262600     -0.1796000    
 C  -0.2047000       3.213300     -0.6768000    
 C   -2.821600     -0.8367000      0.3725000    
 C   -2.826000      0.5579000     -0.1568000    
 C   -1.442600       2.569300     -0.6667000    
 C   -1.651900      -1.350900      0.8047000    
 C   -4.144800      -1.544100      0.3454000    
 C   -1.498800      -2.723400       1.394700    
 C   -4.350100      -2.296300     -0.9546000    
 C    2.472900       3.963000      0.9357000    
 H    3.235000      -1.494100       1.976300    
 H    4.243900     -0.9707000      0.6226000    
 H    3.085900     -0.2845000      -1.529900    
 H    1.328800     -0.3693000      -1.628600    
 H    2.543700      -3.512000      0.8025000    
 H    4.303800      -3.418000      0.8291000    
 H    2.348600      -2.254600      -2.797500    
 H    1.318600      -2.783800      -1.468200    
 H    3.384800      -4.091900      -1.419300    
 H    4.371300      -2.631000      -1.483000    
 H    2.969600       1.094200      0.5285000    
 H    1.992400      0.5523000       1.886500    
 H  -0.1324000       4.228900      -1.056700    
 H   -2.315000       3.097700      -1.040300    
 H   -4.230600      -2.240100       1.187300    
 H   -4.967700     -0.8343000      0.4920000    
 H   -1.276600      -2.647300       2.464000    
 H  -0.6653000      -3.244100      0.9102000    
 H   -2.380400      -3.356500       1.274000    
 H   -5.320800      -2.802700     -0.9481000    
 H   -3.576900      -3.057300      -1.104400    
 H   -4.331700      -1.619200      -1.815300    
 H    3.479500       4.365700      0.7941000    
 H    2.470700       3.335000       1.832100    
 H    1.776900       4.798200       1.062600    


%chk=000049501-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049501

0 1
O -0.790964 -0.858204 1.121640
O 2.244224 2.715423 0.193655
O -4.057703 1.210667 -0.432427
N 2.304337 -0.981088 0.224829
C 3.132439 -2.009209 0.903862
C 2.990740 -0.428649 -0.970210
C 3.458952 -3.173702 -0.052974
C 3.313373 -1.544391 -1.984942
C 4.164253 -2.654289 -1.326981
C 1.865673 0.078979 1.179190
C 0.730080 0.922993 0.626448
C -0.595344 0.426093 0.589261
C 0.926423 2.239563 0.131124
C -1.692959 1.159207 0.066581
C -0.153109 3.009406 -0.394822
C -3.182545 -0.789045 0.605797
C -3.053547 0.575555 0.044044
C -1.442014 2.462771 -0.428259
C -2.072968 -1.439277 1.105804
C -4.561325 -1.422575 0.563944
C -1.998978 -2.819240 1.697571
C -4.814306 -2.193533 -0.759084
C 2.510270 4.080154 -0.271774
H 2.569724 -2.383584 1.780168
H 4.094864 -1.571515 1.286320
H 3.941137 0.094634 -0.680257
H 2.331857 0.327634 -1.432485
H 2.513204 -3.675934 -0.334819
H 4.092565 -3.915065 0.471617
H 3.843297 -1.107849 -2.853752
H 2.362423 -1.975990 -2.352926
H 4.342013 -3.483278 -2.038158
H 5.158404 -2.242093 -1.054261
H 2.708392 0.747969 1.469795
H 1.509053 -0.437974 2.088879
H 0.015896 4.020336 -0.774919
H -2.292555 3.022249 -0.830694
H -4.721758 -2.090918 1.429406
H -5.299109 -0.603040 0.633859
H -1.736742 -2.769428 2.770928
H -1.205801 -3.401293 1.194866
H -2.953688 -3.353760 1.592208
H -5.839007 -2.607700 -0.779766
H -4.101509 -3.030101 -0.883231
H -4.702649 -1.514936 -1.622451
H 3.587437 4.229698 -0.108125
H 1.936308 4.823460 0.313777
H 2.277443 4.191669 -1.347957


