%chk=000178558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178558

0 1
 O    1.151200      0.1964000      -1.769900    
 O   -1.020900      -1.593300      0.5755000    
 O   -3.451600      -2.455200      0.3653000    
 N    5.263300     -0.7884000      -1.097100    
 C    5.875600     -6.9799997E-02  2.4200000E-02
 C    3.955200     -0.2294000      -1.480100    
 C    5.003500     -0.2280000       1.276500    
 C    3.039500      2.7899999E-02 -0.2981000    
 C    3.548500      6.3600004E-02   1.012300    
 C    1.668600      0.2485000     -0.5053000    
 C    7.277800     -0.6231000      0.2755000    
 C    4.122700       1.026100      -2.346500    
 C    2.683500      0.3067000       2.088600    
 C   0.8178000      0.4993000      0.5713000    
 C    1.325100      0.5289000       1.867300    
 C  -0.5991000      0.7268000      0.3666000    
 C   -1.509200     -0.3310000      0.3710000    
 C   -2.879700     -9.8499998E-02  0.1717000    
 C   -1.046500       2.029100      0.1631000    
 C   -3.334100       1.225700     -3.5300002E-02
 C   -2.404700       2.278500     -3.6699999E-02
 C   -3.809400      -1.151200      0.1729000    
 C   -4.704700       1.458300     -0.2348000    
 C   -5.614200      0.4004000     -0.2305000    
 C   -5.167400     -0.9019000     -2.7100001E-02
 C   -7.066300      0.6657000     -0.4437000    
 C   -3.124500      -3.212000     -0.7967000    
 H    5.978300      0.9933000     -0.2257000    
 H    3.483500     -0.9964000      -2.108500    
 H    5.376700      0.4477000       2.056400    
 H    5.074700      -1.252800       1.664800    
 H    5.141200      -1.767600     -0.8356000    
 H    7.910800     -0.4988000     -0.6102000    
 H    7.757700     -9.3300000E-02   1.105400    
 H    7.254000      -1.689600      0.5264000    
 H    4.505400       1.875000      -1.769000    
 H    4.819500      0.8368000      -3.171200    
 H    3.175700       1.341800      -2.795500    
 H    3.065200      0.3195000       3.106400    
 H   0.6765000      0.7171000       2.719700    
 H  -0.3520000       2.866000      0.1557000    
 H   0.1972000      0.3682000      -1.777500    
 H   -2.731400       3.304300     -0.1940000    
 H   -5.064100       2.473200     -0.3966000    
 H   -5.874800      -1.728000     -2.4100000E-02
 H  -5.7500001E-02  -1.608100      0.6765000    
 H   -7.297000      0.6543000      -1.513500    
 H   -7.685000     -8.7600000E-02  5.5799998E-02
 H   -7.353600       1.639300     -3.2099999E-02
 H   -2.466200      -2.656500      -1.472500    
 H   -4.040900      -3.492700      -1.325300    
 H   -2.612100      -4.124400     -0.4796000    


%chk=000178558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178558

0 1
O 1.393061 0.696538 -1.923062
O -1.174658 -1.671682 0.831805
O -3.822764 -2.418786 0.954591
N 5.460223 -0.382143 -1.290009
C 6.023958 -0.072517 0.050540
C 4.156046 0.276259 -1.563723
C 5.068634 -0.523231 1.189552
C 3.168680 0.160778 -0.390861
C 3.604638 -0.186477 0.916036
C 1.786907 0.404408 -0.603406
C 7.415980 -0.710165 0.188368
C 4.368360 1.759861 -1.966211
C 2.660176 -0.259667 1.973568
C 0.825877 0.329263 0.444974
C 1.294505 -0.002384 1.745711
C -0.618465 0.600281 0.163137
C -1.585396 -0.409079 0.387473
C -2.989255 -0.188292 0.144263
C -1.045728 1.874530 -0.333501
C -3.385754 1.121521 -0.352078
C -2.391092 2.127127 -0.589761
C -4.048574 -1.145233 0.388910
C -4.768690 1.416282 -0.586123
C -5.773910 0.478761 -0.335403
C -5.385462 -0.806726 0.156678
C -7.240072 0.792239 -0.566120
C -3.381355 -3.469875 0.020534
H 6.133588 1.028283 0.103283
H 3.708277 -0.231765 -2.438998
H 5.380429 -0.074007 2.153334
H 5.165264 -1.623431 1.316189
H 5.401440 -1.402705 -1.429352
H 8.090543 -0.331336 -0.598198
H 7.860524 -0.488220 1.175837
H 7.354531 -1.811901 0.086482
H 4.787049 2.349494 -1.130884
H 5.072082 1.807066 -2.814648
H 3.408965 2.214517 -2.264759
H 3.004436 -0.511984 2.983499
H 0.583427 -0.016690 2.580066
H -0.296639 2.662709 -0.470321
H 0.403798 0.795531 -1.959363
H -2.711097 3.108435 -0.956664
H -5.029910 2.413327 -0.960883
H -6.143743 -1.565369 0.381178
H -0.185648 -1.656621 0.963380
H -7.692650 0.084186 -1.285832
H -7.817418 0.709622 0.374143
H -7.378981 1.812974 -0.961000
H -2.386195 -3.234979 -0.395561
H -4.123082 -3.598633 -0.793654
H -3.323061 -4.389294 0.623042


