%chk=000114192.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114192

0 1
 O    5.648500       1.682400     -0.1829000    
 N   -1.137500     -0.6193000      -1.631200    
 C    1.622000      -1.232900     -0.3110000    
 C   0.2519000      -1.101500      0.3573000    
 C  -0.3876000     -8.8999998E-03 -0.5365000    
 C    1.292100      -1.638200      -1.829100    
 C    2.406500      -2.363700      0.3970000    
 C   0.3029000     -0.8980000       1.882900    
 C    2.295400      0.1938000     -0.1798000    
 C  -5.7500001E-02   1.369900      1.7600000E-02
 C  -0.2798000      -1.743900      -2.169500    
 C    2.475700      -2.191300       1.918400    
 C    1.088400      -2.034000       2.539000    
 C    1.504400       1.395400      4.9100000E-02
 C   -2.468300      -1.055900      -1.243500    
 C    3.686500      0.3284000     -0.2762000    
 C    2.137900       2.628900      0.2335000    
 C   -3.284000      0.1315000     -0.7332000    
 C    4.292300       1.575500     -9.9600002E-02
 C    3.526700       2.712500      0.1645000    
 C   -4.706400     -0.2484000     -0.3096000    
 C   -5.534800      0.9426000      0.1774000    
 C   -6.917600      0.4964000      0.6547000    
 C   -7.757800       1.678800       1.110600    
 H  -0.2927000      -2.051200      0.2593000    
 H   0.2840000      0.2692000      -1.362100    
 H    1.745100      -2.608200      -2.068100    
 H    1.747800     -0.9120000      -2.515200    
 H    3.418900      -2.463800     -8.2000000E-03
 H    1.910500      -3.323000      0.1933000    
 H  -0.7180000     -0.8786000       2.282400    
 H   0.7701000      4.5200001E-02   2.179300    
 H  -0.4817000       1.545300       1.010300    
 H  -0.4248000       2.157200     -0.6531000    
 H  -0.3982000      -1.775100      -3.258500    
 H  -0.6319000      -2.711300      -1.787000    
 H    3.090900      -1.320200       2.171700    
 H    2.972400      -3.063400       2.359100    
 H   0.5324000      -2.973400       2.429800    
 H    1.183200      -1.844800       3.614300    
 H   -2.437100      -1.837100     -0.4744000    
 H   -2.976800      -1.484000      -2.116000    
 H    4.316400     -0.5314000     -0.4835000    
 H    1.554200       3.528300      0.4088000    
 H   -2.797600      0.5905000      0.1352000    
 H   -3.338200      0.9022000      -1.513000    
 H    4.004400       3.679300      0.3027000    
 H   -5.219300     -0.7219000      -1.156000    
 H   -4.649800      -1.000600      0.4872000    
 H   -5.008500       1.445300      0.9978000    
 H   -5.638600       1.671500     -0.6353000    
 H    5.902000       2.609900     -3.5799999E-02
 H   -6.814500     -0.2134000       1.483700    
 H   -7.441200     -2.4300000E-02 -0.1556000    
 H   -8.741200       1.337300       1.448200    
 H   -7.276700       2.204400       1.941700    
 H   -7.907800       2.391700      0.2935000    


%chk=000114192-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114192

0 1
O 5.789821 1.540089 -0.154218
N -1.164693 -0.560010 -1.645626
C 1.664150 -1.245059 -0.333029
C 0.289300 -1.060175 0.339952
C -0.229538 0.039147 -0.656235
C 1.261651 -1.652737 -1.851046
C 2.490265 -2.358133 0.363247
C 0.350989 -0.845376 1.866837
C 2.324766 0.193403 -0.192906
C -0.019569 1.418888 -0.020002
C -0.303714 -1.737388 -2.165465
C 2.549726 -2.162640 1.900403
C 1.132599 -2.020339 2.513382
C 1.546188 1.400853 0.074251
C -2.494809 -1.011316 -1.174230
C 3.729625 0.312410 -0.258299
C 2.230827 2.615717 0.286784
C -3.378522 0.173861 -0.739989
C 4.383015 1.548846 -0.055914
C 3.639838 2.711900 0.235157
C -4.785668 -0.267659 -0.280104
C -5.671810 0.911497 0.181726
C -7.081322 0.473788 0.641158
C -7.956722 1.655387 1.111978
H -0.302314 -1.986931 0.200165
H 0.572115 0.177083 -1.393782
H 1.668299 -2.662120 -2.063481
H 1.750537 -0.967433 -2.568917
H 3.510708 -2.442318 -0.058489
H 1.987811 -3.324335 0.146813
H -0.674154 -0.792252 2.284548
H 0.857805 0.101222 2.129235
H -0.496050 1.567894 0.966959
H -0.333550 2.247237 -0.683463
H -0.432605 -1.810770 -3.262833
H -0.686211 -2.687821 -1.729641
H 3.141874 -1.256663 2.136047
H 3.077569 -3.019379 2.362903
H 0.572195 -2.966649 2.358802
H 1.208947 -1.869289 3.607836
H -2.420712 -1.745374 -0.327284
H -2.987526 -1.544758 -2.011811
H 4.357466 -0.560957 -0.458681
H 1.644236 3.522484 0.478654
H -2.878453 0.722274 0.083969
H -3.459919 0.882010 -1.587910
H 4.138723 3.675498 0.401347
H -5.293371 -0.802236 -1.110431
H -4.691892 -1.000279 0.549362
H -5.166610 1.446451 1.013311
H -5.767783 1.645237 -0.645830
H 6.155281 2.446089 0.001166
H -6.982653 -0.265303 1.462665
H -7.587837 -0.054730 -0.192287
H -8.957125 1.315511 1.437938
H -7.484975 2.182847 1.962700
H -8.098621 2.392507 0.299006


