%chk=000129336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129336

0 1
 O    4.076000      -1.408100      0.6586000    
 O    3.742700      -2.044900      -1.533900    
 N   -1.167800      -1.301800     -0.4161000    
 C  -0.2496000       2.237900     -0.6302000    
 C    1.181400     -0.4786000     -0.9427000    
 C  -0.9326000      0.9118000     -0.4720000    
 C    1.099800       2.052600      -1.370800    
 C    1.924400      0.8746000     -0.8177000    
 C  -0.2636000     -0.2912000     -0.5951000    
 C   -2.299100      0.6149000     -0.1944000    
 C  -4.6200000E-02   2.923100      0.7240000    
 C    1.863800      -1.535600     -7.7299997E-02
 C   -2.415900     -0.7778000     -0.1611000    
 C   -3.630200      -1.427800      8.7899998E-02
 C   -3.452500       1.394500      2.9100001E-02
 C   0.5683000       4.275800      0.5550000    
 C    3.317700      -1.702400     -0.4391000    
 C   -4.757900     -0.6329000      0.3093000    
 C   -3.759200      -2.914400      0.1227000    
 C   -4.672700      0.7572000      0.2804000    
 C   -3.531600      -3.483300       1.520300    
 C    1.729700       4.640500       1.109400    
 C    5.491300      -1.520400      0.4780000    
 C    6.184000      -1.163900       1.775900    
 H  -0.8855000       2.878000      -1.257900    
 H    1.229300     -0.7900000      -1.995500    
 H   0.8886000       1.846100      -2.429600    
 H    1.705100       2.964300      -1.365700    
 H    2.178400       1.077100      0.2305000    
 H    2.873900      0.8257000      -1.364500    
 H   0.5545000       2.296000       1.394700    
 H   -1.014000       3.054200       1.224800    
 H    1.769000      -1.279100      0.9861000    
 H    1.390600      -2.518100     -0.1939000    
 H  -0.9549000      -2.288300     -0.4679000    
 H   -3.402700       2.479500      8.8999998E-03
 H   2.4800001E-02   5.004700     -4.0800001E-02
 H   -5.722500      -1.094600      0.5090000    
 H   -4.753400      -3.212400     -0.2334000    
 H   -3.047100      -3.372000     -0.5743000    
 H   -5.563200       1.355400      0.4547000    
 H   -4.258600      -3.082300       2.234600    
 H   -3.634300      -4.573000       1.506000    
 H   -2.529000      -3.240700       1.888300    
 H    2.121100       5.640300      0.9568000    
 H    2.308000       3.954500       1.718300    
 H    5.742900      -2.548300      0.1941000    
 H    5.813300     -0.8349000     -0.3140000    
 H    7.270100      -1.238900       1.673100    
 H    5.927200     -0.1443000       2.082100    
 H    5.858000      -1.829400       2.582000    


%chk=000129336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129336

0 1
O 4.211754 -1.844594 0.756454
O 3.856641 -1.479604 -1.516999
N -1.066125 -1.227488 -0.337097
C -0.366315 2.419863 -0.738716
C 1.267255 -0.240794 -0.849991
C -0.959854 1.046499 -0.514232
C 1.032929 2.269058 -1.403226
C 1.896876 1.176834 -0.727159
C -0.211003 -0.130759 -0.563674
C -2.336228 0.672287 -0.243164
C -0.311458 3.252687 0.589586
C 1.980421 -1.255820 0.084394
C -2.375432 -0.763149 -0.136773
C -3.564076 -1.493096 0.115181
C -3.544688 1.403704 -0.093514
C 0.033367 4.708382 0.362713
C 3.417433 -1.517906 -0.343513
C -4.742908 -0.726299 0.254802
C -3.559801 -3.007940 0.260852
C -4.736703 0.695746 0.153134
C -3.018121 -3.481861 1.638217
C 1.057817 5.381434 0.945832
C 5.642743 -2.176629 0.460012
C 6.304367 -2.503643 1.794183
H -1.020961 2.982599 -1.438881
H 1.421739 -0.593730 -1.892352
H 0.900490 2.009983 -2.472632
H 1.564180 3.238658 -1.365673
H 2.027713 1.419698 0.347067
H 2.903660 1.161613 -1.183159
H 0.410281 2.792116 1.290506
H -1.307059 3.182347 1.073961
H 1.964248 -0.914526 1.133947
H 1.466095 -2.239013 0.063777
H -0.788304 -2.205763 -0.348079
H -3.553531 2.496629 -0.175207
H -0.622351 5.247544 -0.341561
H -5.690600 -1.245799 0.444349
H -4.589228 -3.390042 0.130752
H -2.955943 -3.471120 -0.547518
H -5.680276 1.241669 0.266096
H -3.652494 -3.096724 2.456040
H -3.004655 -4.585771 1.701235
H -1.991179 -3.113765 1.819043
H 1.242438 6.442118 0.740181
H 1.738897 4.889115 1.651803
H 5.661783 -3.027074 -0.245450
H 6.101405 -1.305087 -0.040905
H 7.368198 -2.755819 1.631835
H 6.252887 -1.642359 2.481886
H 5.813475 -3.365110 2.278335


