%chk=000100148.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100148

0 1
 O    2.139000     -0.8946000      0.5951000    
 O  -0.5136000       3.556200     -0.7774000    
 O   0.2037000       2.918200       1.278700    
 O    1.912500      0.4079000      -1.282900    
 N   0.2658000      0.3252000      0.3501000    
 N   -6.007700      -2.240600      0.1974000    
 C   -2.115300      0.9559000      0.1753000    
 C   -2.652500     -0.4173000     -0.2473000    
 C  -0.6735000       1.236200     -0.2517000    
 C   -4.115600     -0.6428000      0.1488000    
 C    3.420200      -1.333200      0.1294000    
 C   -4.626900      -2.036500     -0.2236000    
 C    4.326700     -0.1123000     -2.1400001E-02
 C    3.984200      -2.295700       1.172200    
 C    3.233900      -2.042300      -1.211300    
 C  -0.2608000       2.629000      0.1836000    
 C    1.480100     -1.3300000E-02 -0.2150000    
 H   -2.200100       1.046400       1.266700    
 H   -2.767500       1.733700     -0.2435000    
 H   -2.036200      -1.203600      0.2049000    
 H   -2.554600     -0.5230000      -1.334700    
 H  -0.5700000       1.164000      -1.340800    
 H   -4.216600     -0.4965000       1.231900    
 H   -4.741500      0.1184000     -0.3338000    
 H   5.0000001E-02 -5.8400001E-02   1.265700    
 H   -3.995200      -2.800500      0.2434000    
 H   -4.562300      -2.175500      -1.308200    
 H    4.235200      0.5541000      0.8442000    
 H    5.375900     -0.4226000     -9.6000001E-02
 H    4.135500      0.4894000     -0.9135000    
 H    3.311000      -3.148400       1.317800    
 H    4.074400      -1.802700       2.147000    
 H    4.969300      -2.677500      0.8849000    
 H    3.062400      -1.374900      -2.059400    
 H    4.130600      -2.619800      -1.466200    
 H    2.387100      -2.737400      -1.172200    
 H   -6.075900      -2.140500       1.209300    
 H   -6.288500      -3.196900     -1.5300000E-02
 H  -0.2675000       4.460200     -0.4865000    


%chk=000100148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100148

0 1
O 2.197442 -0.515418 0.688941
O -1.269324 4.066822 0.032378
O 0.112398 3.437170 1.790948
O 1.022199 -0.100134 -1.337690
N 0.448120 0.914512 0.695984
N -5.270976 -2.625517 -0.467533
C -2.053203 1.167117 0.386858
C -2.256603 -0.209625 -0.278207
C -0.620201 1.744141 0.138309
C -3.682134 -0.760347 -0.052888
C 3.178536 -1.504175 0.073575
C -3.896135 -2.139846 -0.708720
C 4.004410 -0.797194 -1.019696
C 4.048710 -1.880356 1.285439
C 2.403412 -2.723364 -0.466403
C -0.517884 3.137409 0.752176
C 1.209087 0.081906 -0.102776
H -2.225007 1.088558 1.479494
H -2.787600 1.892274 -0.012795
H -1.512184 -0.925292 0.122535
H -2.052363 -0.125732 -1.364107
H -0.461078 1.811875 -0.953705
H -3.879599 -0.841278 1.037830
H -4.439126 -0.062806 -0.460617
H 0.745479 1.080697 1.660374
H -3.098567 -2.835150 -0.345256
H -3.755763 -2.041746 -1.802524
H 4.491172 0.106204 -0.611117
H 4.794434 -1.479631 -1.383716
H 3.366140 -0.507934 -1.869135
H 3.430769 -2.328904 2.082361
H 4.551373 -0.987286 1.694658
H 4.818986 -2.611862 0.982357
H 1.759279 -2.436424 -1.312498
H 3.119627 -3.492216 -0.809676
H 1.778560 -3.166245 0.329711
H -5.491883 -2.760203 0.524795
H -5.539733 -3.438392 -1.030298
H -1.215067 4.956393 0.476334


