%chk=000022780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022780

0 1
 O   -1.930300      -2.571100     -0.1486000    
 O   -3.712200       1.768200     -0.2212000    
 O    5.050600     -6.2799998E-02  -1.285100    
 N   0.7199000      -1.240200      0.2482000    
 N   -1.416000       1.530300      7.1099997E-02
 N   -2.845400     -0.4077000     -0.1886000    
 N   0.9633000      0.9729000      0.3625000    
 N    2.907700     -0.4307000      0.5627000    
 C  -0.5303000     -0.7105000      0.1046000    
 C  -0.3529000      0.6442000      0.1781000    
 C    1.585000     -0.1876000      0.4005000    
 C   -1.790300      -1.352800     -8.5100003E-02
 C   -2.727600       1.027600     -0.1192000    
 C    1.063100      -2.644800      0.2399000    
 C   -1.176500       2.965500      0.1565000    
 C    3.929000      0.6005000      0.7327000    
 C   -4.187800     -0.9450000     -0.3854000    
 C    4.450600       1.043900     -0.6236000    
 H    1.338300      -2.922300     -0.7802000    
 H    1.890700      -2.830800      0.9280000    
 H   0.2188000      -3.241800      0.5858000    
 H    3.275200      -1.377300      0.5278000    
 H   -2.104200       3.534100      5.4499999E-02
 H  -0.4919000       3.260100     -0.6449000    
 H  -0.7274000       3.193800       1.127900    
 H    4.747500      0.1678000       1.318800    
 H    3.532300       1.453300       1.294500    
 H   -4.206100      -2.036100     -0.4296000    
 H   -4.592900     -0.5389000      -1.317800    
 H   -4.823500     -0.6062000      0.4389000    
 H    5.212300       1.819900     -0.5036000    
 H    3.652600       1.439100      -1.260400    
 H    4.363000     -0.7405000      -1.401100    


%chk=000022780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022780

0 1
O -2.120268 -2.635069 -0.066515
O -3.605595 1.843066 -0.279014
O 4.986829 0.436202 -1.501798
N 0.745854 -1.426179 0.268750
N -1.301744 1.483878 -0.000728
N -2.840063 -0.370375 -0.169513
N 1.070111 0.852368 0.284387
N 3.012440 -0.579483 0.525936
C -0.526010 -0.819421 0.115918
C -0.277223 0.560674 0.131071
C 1.658927 -0.381841 0.367844
C -1.826996 -1.393027 -0.040127
C -2.638803 1.035585 -0.156847
C 1.020931 -2.867142 0.337021
C -1.016734 2.930954 0.020546
C 3.929025 0.557953 0.750130
C -4.244329 -0.810469 -0.331696
C 4.273319 1.302624 -0.554350
H 1.704695 -3.178580 -0.474750
H 1.458773 -3.142361 1.315253
H 0.061988 -3.396330 0.217055
H 3.353379 -1.525845 0.686021
H -1.976562 3.458296 -0.078657
H -0.347207 3.198811 -0.814227
H -0.525760 3.205758 0.969146
H 4.856897 0.153265 1.190976
H 3.471385 1.266853 1.466173
H -4.245603 -1.910058 -0.305576
H -4.648365 -0.445723 -1.290394
H -4.864995 -0.401445 0.482190
H 4.972321 2.126164 -0.333432
H 3.350167 1.722382 -0.999075
H 4.363817 -0.277386 -1.793119


