%chk=000226760.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226760

0 1
 O   -3.935200     -0.8740000     -0.3408000    
 O   -2.883500       1.610800       1.401400    
 O   -2.115300      -1.880400      0.6534000    
 N  -0.5046000      0.1691000      1.3800000E-02
 N   0.2515000      0.1692000     -0.9804000    
 C   -1.907700      0.3112000     -0.3754000    
 C    4.227800     -0.2389000      0.2693000    
 C    1.585300      3.2299999E-02 -0.5606000    
 C   -2.391800       1.591100      0.2731000    
 C    3.466100      -1.372400     -1.4000000E-02
 C    3.665300       1.030600      0.1365000    
 C    2.141600      -1.236500     -0.4299000    
 C    2.340800       1.166500     -0.2793000    
 C   -2.630400     -0.9413000      6.0899999E-02
 C    5.643400     -0.3834000      0.7156000    
 C   -2.215000       2.862000     -0.5183000    
 C   -4.738100      -2.016100     -2.5300000E-02
 H   -2.030900      0.3903000      -1.464200    
 H    3.893500      -2.366700      8.3999999E-02
 H    4.249200       1.921400      0.3526000    
 H    1.555400      -2.124700     -0.6496000    
 H    1.910400       2.159200     -0.3812000    
 H    5.929600      0.4301000       1.390800    
 H    5.791900      -1.320600       1.262700    
 H    6.313000     -0.3731000     -0.1501000    
 H   -2.760200       2.784800      -1.462100    
 H   -1.152600       3.032900     -0.7082000    
 H   -2.613600       3.707600      4.9300000E-02
 H   -4.784700      -2.158200       1.058600    
 H   -4.337100      -2.908000     -0.5159000    
 H   -5.749200      -1.834400     -0.3991000    


%chk=000226760-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226760

0 1
O -4.092355 -0.850009 -0.864917
O -3.139111 0.908303 1.688696
O -2.607815 -2.238355 0.282963
N -0.581631 -0.251025 0.023684
N 0.271716 0.522104 -0.582218
C -1.991514 0.098078 -0.338057
C 4.435352 -0.095830 0.189832
C 1.648736 0.257825 -0.270791
C -2.492444 1.205508 0.660002
C 3.473354 -0.924138 0.839804
C 3.970654 0.911340 -0.694349
C 2.097097 -0.758485 0.620185
C 2.590914 1.088899 -0.925784
C -2.872821 -1.144850 -0.245825
C 5.917266 -0.298038 0.440879
C -2.104317 2.618381 0.274303
C -5.119780 -1.916902 -0.787611
H -2.045740 0.532622 -1.354967
H 3.820919 -1.706374 1.525726
H 4.694343 1.557838 -1.203623
H 1.354895 -1.392196 1.115822
H 2.221186 1.861225 -1.608611
H 6.526438 0.456454 -0.084802
H 6.152831 -0.234636 1.519719
H 6.246735 -1.297354 0.098208
H -2.775030 2.965917 -0.536068
H -1.074697 2.645007 -0.126671
H -2.208029 3.294777 1.136529
H -5.336929 -2.154219 0.267049
H -4.764258 -2.826075 -1.301056
H -6.001067 -1.495389 -1.290451


