%chk=000153917.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153917

0 1
 O   -6.779400      0.2018000      0.4231000    
 O   -5.599100      -2.286500      0.3799000    
 N   0.1065000     -0.7881000      0.3338000    
 N   -3.274100      0.3481000     -0.7497000    
 C  -9.6299998E-02  0.5658000      0.2784000    
 C   -4.573500     -0.2718000     -0.5430000    
 C    1.154700       1.166800      0.1187000    
 C    2.143600      0.1097000      7.8299999E-02
 C   -1.294100       1.287400      0.3586000    
 C    1.440200      -1.091200      0.2165000    
 C   -2.638500      0.6573000      0.5309000    
 C    3.573100      3.4600001E-02 -6.1400000E-02
 C   -5.465600      0.7150000      0.2369000    
 C   -4.364800      -1.600400      0.2091000    
 C    1.187300       2.578600      3.6200002E-02
 C   -5.178200     -0.5687000      -1.923700    
 C   -1.224900       2.677600      0.2734000    
 C    2.050800      -2.347200      0.2253000    
 C    4.200600      -1.242700     -5.3300001E-02
 C  -0.9335000      -1.786500      0.4938000    
 C  -1.4000000E-03   3.316300      0.1144000    
 C    3.435700      -2.403000      8.8500001E-02
 C    4.387500       1.179200     -0.2069000    
 C    5.595100      -1.331900     -0.1884000    
 C    5.773000       1.065900     -0.3394000    
 C    6.375300     -0.1861000     -0.3301000    
 H   -2.568500     -0.1499000       1.250500    
 H   -3.221900       1.414800       1.066800    
 H   -3.378500       1.205300      -1.293000    
 H   -5.551500       1.673100     -0.2889000    
 H   -5.102700      0.9038000       1.250200    
 H   -3.715700      -2.277400     -0.3540000    
 H   -3.962000      -1.493200       1.217300    
 H    2.117600       3.121400     -8.8299997E-02
 H   -4.535200      -1.239600      -2.506000    
 H   -5.308400      0.3511000      -2.506700    
 H   -6.162300      -1.043700      -1.845600    
 H   -2.126400       3.283600      0.3257000    
 H    1.494700      -3.271100      0.3369000    
 H  -0.5263000      -2.793000      0.3907000    
 H   -1.353600      -1.708600       1.497000    
 H   -1.646200      -1.663900     -0.3166000    
 H   3.6800001E-02   4.400600      4.8500001E-02
 H    3.914300      -3.381100      9.5899999E-02
 H    3.968500       2.177500     -0.2203000    
 H    6.090900      -2.300800     -0.1842000    
 H    6.380600       1.959500     -0.4500000    
 H    7.453000     -0.2723000     -0.4334000    
 H   -7.286400      0.8778000      0.9043000    
 H   -6.160900      -1.745700      0.9600000    


%chk=000153917-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153917

0 1
O -6.969895 0.502500 -0.218906
O -6.281452 -1.957601 0.635366
N 0.149564 -0.911127 0.350181
N -3.214993 0.039675 -0.349230
C -0.073264 0.478652 0.424909
C -4.655075 -0.346929 -0.416377
C 1.200806 1.147176 0.238471
C 2.210744 0.112045 0.063319
C -1.272869 1.211005 0.664101
C 1.521800 -1.134089 0.148037
C -2.641551 0.589024 0.912814
C 3.636023 0.120831 -0.155600
C -5.552413 0.925414 -0.320262
C -4.977646 -1.317073 0.763477
C 1.251214 2.564202 0.264791
C -4.887340 -1.050769 -1.770228
C -1.164550 2.621721 0.679414
C 2.184136 -2.390628 0.036955
C 4.310335 -1.161616 -0.274323
C -0.847213 -1.986973 0.424016
C 0.068551 3.294655 0.479086
C 3.560880 -2.387754 -0.171900
C 4.430528 1.308502 -0.264611
C 5.725102 -1.196055 -0.491212
C 5.812468 1.242760 -0.477887
C 6.470931 -0.018235 -0.592534
H -2.569030 -0.229203 1.654360
H -3.283803 1.371458 1.376068
H -2.923608 0.591095 -1.167820
H -5.406556 1.547044 -1.228323
H -5.277187 1.517142 0.577259
H -4.234624 -2.133871 0.768416
H -4.907936 -0.769300 1.730375
H 2.193434 3.099862 0.126695
H -4.292759 -1.978666 -1.819946
H -4.579599 -0.393015 -2.606653
H -5.950415 -1.308414 -1.899574
H -2.071602 3.210138 0.867425
H 1.635228 -3.333146 0.124044
H -0.520568 -2.829169 -0.209154
H -0.975158 -2.356483 1.459529
H -1.809427 -1.615060 0.027352
H 0.098450 4.389045 0.504125
H 4.102235 -3.337175 -0.258787
H 3.954944 2.288067 -0.181449
H 6.219223 -2.171509 -0.578257
H 6.394794 2.167700 -0.557508
H 7.552808 -0.058103 -0.759038
H -7.562454 1.285156 -0.108575
H -6.931310 -1.224706 0.434269


