%chk=000131723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131723

0 1
 O    2.769400     -0.2431000      0.2246000    
 O   -3.376400      -2.355900      0.4160000    
 O    4.854900     -0.5667000       2.016500    
 O    4.985000       2.381800     -0.9919000    
 N   0.8656000      -1.207100     -0.6596000    
 N   -2.831200     -8.7899998E-02  0.1403000    
 N   -2.559000       2.120100     -6.6299997E-02
 N  -0.6185000      0.6930000     -0.4329000    
 N  -0.5345000      -2.895100     -0.2201000    
 C  -0.3483000     -0.6361000     -0.4109000    
 C   -1.187300      -1.699400     -0.1441000    
 C   -1.867700      0.9295000     -0.1530000    
 C    2.095300     -0.5295000     -0.9931000    
 C    4.013100      0.4035000     -9.3999999E-03
 C   -2.577900      -1.461900      0.1688000    
 C   -3.881300       1.867300      0.2626000    
 C   -4.043500      0.5347000      0.3868000    
 C   0.7028000      -2.564700     -0.5330000    
 C    4.664600      0.6719000       1.340800    
 C    3.755500       1.698500     -0.7714000    
 C   -4.880300       2.947100      0.4293000    
 H    2.692700      -1.191300      -1.629700    
 H    1.797100      0.3620000      -1.548500    
 H    4.665000     -0.2670000     -0.5841000    
 H   -4.931700     -2.4700001E-02  0.6328000    
 H   -2.200700       3.053400     -0.2109000    
 H    1.519500      -3.258800     -0.6787000    
 H    4.020300       1.295100       1.969900    
 H    5.641800       1.151300       1.234300    
 H    3.057200       2.359100     -0.2455000    
 H    3.354600       1.526900      -1.771800    
 H   -4.575700       3.631600       1.227300    
 H   -5.864700       2.544100      0.6880000    
 H   -4.983500       3.520600     -0.4973000    
 H    5.264700     -0.3632000       2.874600    
 H    5.232900       2.818600     -0.1596000    


%chk=000131723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131723

0 1
O 3.187865 -0.672042 0.551270
O -3.439367 -1.412758 1.893876
O 3.954777 0.346743 -2.083662
O 3.094280 3.008052 1.217149
N 1.035825 -1.808174 0.428907
N -2.501394 0.143771 0.387940
N -1.928218 1.777778 -1.011005
N -0.210563 0.115459 -0.484166
N -0.566237 -2.755672 1.772163
C -0.105709 -1.012935 0.294083
C -1.095624 -1.617016 1.129524
C -1.438675 0.640702 -0.386779
C 2.338232 -1.582484 -0.208165
C 3.111650 0.750411 0.135266
C -2.425993 -1.057628 1.237012
C -3.277492 2.001640 -0.637548
C -3.626662 0.984160 0.228509
C 0.696879 -2.833294 1.338699
C 4.257376 1.057184 -0.830180
C 3.187390 1.555982 1.448375
C -4.066675 3.164881 -1.154344
H 2.872491 -2.546017 -0.228273
H 2.180008 -1.203054 -1.231264
H 2.145637 0.948892 -0.368151
H -4.555526 0.773691 0.747416
H -1.364147 2.355127 -1.631385
H 1.417210 -3.593475 1.634454
H 5.213945 0.705483 -0.388349
H 4.306657 2.153669 -1.009387
H 4.105936 1.285432 2.009444
H 2.313895 1.301283 2.068222
H -3.603790 4.129971 -0.874305
H -5.083905 3.146195 -0.732457
H -4.158377 3.141348 -2.256670
H 4.730967 0.397234 -2.694327
H 3.987132 3.367159 0.988907


