%chk=000177251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177251

0 1
 O    4.450400      -3.552400      0.7593000    
 O    2.867300      -1.923900      0.8493000    
 N   -2.030200       2.356700      0.8542000    
 C   -1.887400       1.652100     -0.4205000    
 C   -2.826500      0.4794000     -0.5213000    
 C   -2.456800     -0.7997000     -8.8100001E-02
 C   -3.385700      -1.860400     -0.2103000    
 C   -1.065600       3.448500      0.9471000    
 C   -4.083700      0.7218000      -1.066400    
 C   -1.190800      -1.055800      0.4633000    
 C   -4.652000      -1.604500     -0.7614000    
 C   -3.394900       2.862600       1.006000    
 C   -4.997300     -0.3213000      -1.186300    
 C   -3.021300      -3.145800      0.2225000    
 C    4.255100     -0.4888000      -1.230000    
 C    5.067700      0.2823000     -0.1814000    
 C  -0.8455000      -2.339000      0.8879000    
 C   -1.759000      -3.382200      0.7676000    
 C   0.3429000       2.951900      0.7939000    
 C    4.358300      -2.001000      -1.049800    
 C    5.025700       1.797000     -0.3949000    
 C    1.222400       3.283900     -0.1623000    
 C    3.802700      -2.464200      0.2735000    
 C    3.660500       2.333500     -0.3115000    
 C    2.543700       2.769200     -0.2405000    
 H  -0.8696000       1.306600     -0.6232000    
 H   -2.090300       2.340100      -1.256100    
 H   -1.139100       3.926000       1.932200    
 H   -1.276100       4.224600      0.1991000    
 H   -4.369600       1.708200      -1.421100    
 H  -0.4407000     -0.2834000      0.6014000    
 H   -5.381500      -2.404900     -0.8657000    
 H   -4.115200       2.061300       1.196000    
 H   -3.458700       3.501800       1.895900    
 H   -3.722600       3.467500      0.1527000    
 H   -5.978400     -0.1379000      -1.614500    
 H    4.617300     -0.2293000      -2.232200    
 H    3.200100     -0.1947000      -1.185400    
 H    6.113400     -4.7200002E-02 -0.2186000    
 H    4.698600      5.4800000E-02  0.8258000    
 H   -3.719500      -3.976100      0.1386000    
 H   0.1336000      -2.524100       1.319000    
 H   0.6664000       2.248500       1.561900    
 H   -1.490100      -4.380600       1.099800    
 H    5.410200      -2.301400      -1.119300    
 H    3.806000      -2.515400      -1.843300    
 H    5.654500       2.281200      0.3612000    
 H    5.458700       2.042700      -1.371600    
 H   0.9214000       3.985300     -0.9351000    
 H    4.079500      -3.845500       1.618900    


%chk=000177251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177251

0 1
O 4.297140 -3.802482 0.961065
O 2.821172 -2.022267 1.128366
N -2.083363 2.440772 0.829261
C -2.267874 1.947437 -0.562584
C -3.044160 0.639866 -0.653330
C -2.466565 -0.609516 -0.207608
C -3.235121 -1.832917 -0.346905
C -1.043250 3.499562 0.919885
C -4.329156 0.637228 -1.211226
C -1.147921 -0.693911 0.353087
C -4.551102 -1.780932 -0.915680
C -3.352933 2.813949 1.481951
C -5.089281 -0.566854 -1.341565
C -2.658144 -3.076147 0.077844
C 4.203040 -0.683816 -1.128731
C 5.096201 0.191049 -0.222136
C -0.604464 -1.919319 0.747840
C -1.369095 -3.121674 0.612440
C 0.346941 2.923121 0.777570
C 4.336135 -2.192648 -0.832737
C 5.045643 1.701778 -0.595601
C 1.250667 3.310367 -0.173614
C 3.729488 -2.605120 0.495639
C 3.704439 2.296313 -0.456849
C 2.566691 2.765783 -0.313169
H -1.257985 1.817209 -0.996117
H -2.791661 2.715236 -1.188462
H -1.139265 3.958459 1.924540
H -1.197572 4.320679 0.172793
H -4.762321 1.583945 -1.557669
H -0.570295 0.223915 0.486991
H -5.124205 -2.710989 -1.014188
H -4.042663 1.953440 1.469108
H -3.162190 3.084836 2.535482
H -3.869626 3.675711 0.986189
H -6.092840 -0.528319 -1.779570
H 4.475130 -0.511324 -2.188788
H 3.148121 -0.375744 -1.009533
H 6.150416 -0.144989 -0.297961
H 4.785448 0.069865 0.832811
H -3.249014 -3.994273 -0.029564
H 0.410884 -1.958539 1.157281
H 0.615304 2.139412 1.498530
H -0.937206 -4.077727 0.930195
H 5.389644 -2.525264 -0.855705
H 3.809470 -2.780339 -1.612191
H 5.758533 2.256547 0.047608
H 5.400854 1.832242 -1.638482
H 0.955895 4.092561 -0.891096
H 3.850315 -4.068168 1.810882


