%chk=000015813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015813

0 1
 O   0.3447000      0.7890000       1.180400    
 O    1.316900      0.5889000      -1.883100    
 O   -2.492500      -2.296600      0.1368000    
 O   -5.068300      -1.573200       1.022000    
 O   -5.922200      0.6781000      0.9375000    
 O    2.025000       2.213300       1.878100    
 O    4.629000       1.121400       1.091400    
 O    5.751900      -1.055200     -0.2283000    
 N  -4.1499998E-02  0.7781000      -1.743000    
 C  -0.6362000     -0.2647000     -0.7844000    
 C   0.2308000     -0.4728000      0.4692000    
 C  -0.2791000       2.166500      -1.191000    
 C   -2.062300      4.5400001E-02 -0.3638000    
 C   -1.752000       2.496500     -0.9935000    
 C   -2.565300       1.370100     -0.4103000    
 C  -0.6409000      0.6384000      -3.119600    
 C    1.643900     -0.8019000      0.1793000    
 C   -2.877000     -0.9966000      0.1158000    
 C   -3.876600       1.640100      1.7999999E-02
 C    2.465300      0.1819000      0.6933000    
 C   -4.155600     -0.6908000      0.5318000    
 C   -4.641300      0.5925000      0.4860000    
 C    1.643100       1.200000       1.327300    
 C    2.187300      -1.892200     -0.4775000    
 C    3.842900      0.1410000      0.5804000    
 C    3.577700      -1.963500     -0.6084000    
 C    4.400100     -0.9528000     -8.2800001E-02
 C   -6.186000     -0.6983000       1.277700    
 C   -2.788000      -3.082000      -1.018200    
 C    5.462400       1.834800      0.1761000    
 C    6.463900      -1.735200      0.8030000    
 H  -0.6226000      -1.185400      -1.381300    
 H  -0.1936000      -1.205700       1.164300    
 H   0.1406000       2.848200      -1.943800    
 H   0.3143000       2.349800     -0.3065000    
 H   -2.196400       2.767800      -1.959400    
 H   -1.827900       3.380300     -0.3486000    
 H   -1.727000      0.7194000      -3.062000    
 H  -0.2174000       1.427800      -3.746800    
 H  -0.3491000     -0.3437000      -3.503200    
 H   -4.282800       2.645600     -2.6100000E-02
 H    1.556000      -2.676000     -0.8822000    
 H    4.021200      -2.812400      -1.123100    
 H   -6.439400     -0.7545000       2.342600    
 H   -7.045000      -1.046200      0.6925000    
 H   -2.471000      -2.576800      -1.936100    
 H   -3.860400      -3.295000      -1.062900    
 H   -2.246900      -4.028400     -0.9350000    
 H    5.035600       1.862300     -0.8326000    
 H    6.461800       1.391600      0.1558000    
 H    5.554200       2.863300      0.5371000    
 H    6.326300      -1.230400       1.764400    
 H    7.527700      -1.722000      0.5507000    
 H    6.133700      -2.776400      0.8744000    


%chk=000015813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015813

0 1
O 0.605888 0.973016 1.054417
O 1.400122 1.195262 -1.920971
O -2.001696 -2.118062 -0.271684
O -5.021276 -1.795822 0.569274
O -6.066590 0.350675 0.541938
O 2.434380 2.094904 1.934818
O 5.149990 0.498872 0.878516
O 5.757230 -1.966497 -0.353829
N -0.026258 1.248769 -1.859957
C -0.567352 0.076683 -1.002437
C 0.348168 -0.226469 0.223028
C -0.449330 2.590897 -1.243505
C -2.035433 0.256375 -0.621197
C -1.972028 2.756415 -1.155829
C -2.688940 1.513638 -0.643663
C -0.570367 1.113163 -3.276929
C 1.724587 -0.789923 -0.063035
C -2.743155 -0.929540 -0.223319
C -4.053460 1.632537 -0.252333
C 2.706115 0.033647 0.542297
C -4.081632 -0.791656 0.171697
C -4.706511 0.473739 0.153204
C 2.023397 1.148760 1.235130
C 2.061167 -1.995619 -0.691590
C 4.086312 -0.289128 0.438403
C 3.423933 -2.367667 -0.721035
C 4.429614 -1.541126 -0.168109
C -6.177810 -1.020160 1.091507
C -2.670464 -3.397056 0.042416
C 5.113094 1.957050 0.598406
C 6.629756 -2.012617 0.839083
H -0.469044 -0.814749 -1.650048
H -0.227791 -0.930989 0.851405
H 0.028866 3.354509 -1.876955
H 0.019248 2.600074 -0.250453
H -2.390098 3.028912 -2.146284
H -2.185114 3.613118 -0.488899
H -1.669627 1.011471 -3.296611
H -0.243824 2.004586 -3.832309
H -0.084224 0.224717 -3.705000
H -4.565994 2.597659 -0.267295
H 1.298870 -2.636294 -1.146285
H 3.751145 -3.297479 -1.197107
H -6.112306 -0.974561 2.196319
H -7.107656 -1.481037 0.728749
H -3.515957 -3.576021 -0.643246
H -3.032311 -3.406292 1.084048
H -1.890650 -4.159633 -0.100040
H 4.479651 2.471971 1.336826
H 4.728422 2.134681 -0.422245
H 6.163055 2.279293 0.673533
H 6.738863 -1.011416 1.285871
H 7.597805 -2.382194 0.467532
H 6.219222 -2.719990 1.586183


