%chk=000121568.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121568

0 1
 O    2.587100     -0.4330000     -0.4997000    
 O   -2.442700      0.9120000      -1.596300    
 O    1.593500      9.8000001E-03   1.538300    
 O   -2.233800      -3.137300      0.5194000    
 N  -0.9999000      -1.171100      0.7725000    
 N   -2.613100      -1.230200     -0.7497000    
 C  -0.9360000      0.1684000      0.1994000    
 C   0.4022000      0.4168000     -0.5207000    
 C   -1.284900       1.214900       1.264300    
 C   0.6083000       1.881700     -0.9252000    
 C   -1.076400       2.650800      0.7905000    
 C   0.3149000       2.860800      0.2088000    
 C   -2.077200      3.0700000E-02 -0.8293000    
 C    1.576000     -1.7200001E-02  0.3152000    
 C   -1.982800      -1.980500      0.2107000    
 C    3.772700     -0.8757000      0.1684000    
 C    4.792300      -1.301000     -0.8666000    
 H   0.4214000     -0.1993000      -1.431900    
 H  -0.6780000       1.051400       2.163800    
 H   -2.328400       1.099800       1.586300    
 H  -4.8700001E-02   2.116600      -1.771600    
 H    1.633600       2.044600      -1.279600    
 H   -1.228900       3.337000       1.631700    
 H   -1.830900       2.909200      3.8400002E-02
 H   0.4028000       3.887400     -0.1652000    
 H    1.065200       2.750300       1.000700    
 H  -0.3909000      -1.487900       1.520700    
 H   -3.377500      -1.563700      -1.325500    
 H    4.178200     -5.6800000E-02  0.7731000    
 H    3.530000      -1.723000      0.8194000    
 H    5.713700      -1.646000     -0.3892000    
 H    4.394100      -2.107400      -1.491100    
 H    5.031300     -0.4685000      -1.536700    


%chk=000121568-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121568

0 1
O 2.658818 -0.321372 -0.450845
O -2.528681 1.108824 -1.581312
O 1.409088 -0.765399 1.451447
O -2.872194 -3.015645 0.675323
N -1.259109 -1.259696 0.781568
N -2.985527 -0.999788 -0.613321
C -1.042711 0.080028 0.194654
C 0.308782 0.164001 -0.594474
C -1.133242 1.194513 1.286560
C 0.581682 1.606186 -1.123293
C -0.834951 2.609206 0.737472
C 0.528565 2.654541 0.010257
C -2.252979 0.172868 -0.787933
C 1.472327 -0.347586 0.265762
C -2.404029 -1.900321 0.346991
C 3.881353 -0.826156 0.258412
C 5.042919 -0.688461 -0.718942
H 0.256369 -0.519044 -1.466404
H -0.402496 0.935483 2.076051
H -2.138677 1.157438 1.746490
H -0.193166 1.843295 -1.874138
H 1.563093 1.614683 -1.628460
H -0.847894 3.328490 1.578384
H -1.631742 2.910698 0.032282
H 0.696038 3.661463 -0.415873
H 1.349049 2.473858 0.735973
H -0.628521 -1.637260 1.489586
H -3.846745 -1.222634 -1.113066
H 4.018534 -0.225619 1.175327
H 3.694943 -1.873726 0.555895
H 5.973001 -1.050592 -0.244118
H 4.864687 -1.283465 -1.630610
H 5.190614 0.364790 -1.012344


