%chk=000100117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100117

0 1
 O    2.161100      0.9748000     -0.6217000    
 O    2.052500      -3.287000     -0.7457000    
 O    1.436000      0.3112000       1.454000    
 O   0.5262000      -4.362000      0.5291000    
 O   -4.134000       2.701000      0.1546000    
 N   0.9684000     -0.9234000     -0.4536000    
 C    2.777300       2.122200     -3.5799999E-02
 C   0.2176000      -1.990200      0.1671000    
 C   -1.197900      -2.082700     -0.4171000    
 C   -1.983300     -0.8024000     -0.2639000    
 C    3.817300       1.650700      0.9794000    
 C    3.443600       2.911400      -1.160700    
 C    1.695700       2.962200      0.6422000    
 C    1.512900      0.1352000      0.2425000    
 C   0.9314000      -3.325200      1.3600000E-02
 C   -2.752800     -0.6097000      0.8722000    
 C   -1.920500      0.1557000      -1.263000    
 C   -3.479000      0.5730000       1.013000    
 C   -2.646700       1.338300      -1.122100    
 C   -3.425900       1.547000      1.5900001E-02
 H   0.1655000      -1.791900       1.244600    
 H   -1.149300      -2.350700      -1.481900    
 H   -1.749400      -2.906000      5.6699999E-02
 H    4.419000      0.8295000      0.5729000    
 H    4.499200       2.470300       1.236200    
 H    3.402300       1.306900       1.930200    
 H    2.706700       3.208900      -1.915600    
 H    4.186800       2.295400      -1.679800    
 H    3.940600       3.812900     -0.7880000    
 H    1.341500       2.564100       1.596400    
 H    2.074400       3.967300      0.8633000    
 H   0.8186000       3.069200     -6.8999999E-03
 H    1.132700     -0.9692000      -1.454900    
 H   -2.798300      -1.361600       1.654700    
 H   -1.319600      3.0000000E-03  -2.154800    
 H   -4.083500      0.7301000       1.902100    
 H   -2.596800       2.089300      -1.906000    
 H    2.476000      -4.168800     -0.8192000    
 H   -3.980800       3.260200     -0.6263000    


%chk=000100117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100117

0 1
O 2.271523 0.904128 -0.525834
O 1.768336 -3.543134 -1.096863
O 1.134539 0.304684 1.475191
O 0.594565 -4.448087 0.694507
O -4.127230 2.727171 0.445773
N 1.101787 -1.026101 -0.456357
C 2.817103 2.214605 0.024569
C 0.258500 -2.069944 0.110912
C -1.177437 -2.126478 -0.539650
C -1.963566 -0.848421 -0.314529
C 3.738851 1.923385 1.225927
C 3.610179 2.755991 -1.177773
C 1.641597 3.142506 0.392401
C 1.469874 0.086659 0.280538
C 0.878974 -3.460074 -0.012750
C -2.688331 -0.648062 0.890538
C -1.972795 0.187013 -1.280173
C -3.400264 0.541947 1.129461
C -2.681463 1.388670 -1.058933
C -3.394345 1.562803 0.150837
H 0.142857 -1.846335 1.186071
H -1.056043 -2.327221 -1.621105
H -1.702988 -2.992835 -0.096162
H 4.528345 1.205350 0.941039
H 4.225657 2.860802 1.552158
H 3.164946 1.509886 2.069916
H 2.945405 2.904791 -2.046269
H 4.408636 2.050691 -1.466258
H 4.072569 3.724848 -0.917563
H 1.065489 2.731585 1.236013
H 2.032850 4.136506 0.677189
H 0.967469 3.270247 -0.473436
H 1.503770 -1.149420 -1.386239
H -2.695253 -1.434981 1.654741
H -1.421668 0.056101 -2.218793
H -3.960017 0.699643 2.055841
H -2.679587 2.177899 -1.822359
H 2.117366 -4.472249 -1.168827
H -4.054704 3.384430 -0.290048


