%chk=000126027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126027

0 1
 O    1.971100       2.811900     -0.6645000    
 O  -0.7866000     -0.9635000       1.340200    
 O    2.132400     -0.2586000      -1.283800    
 O   -5.225700       1.481500     -0.7670000    
 O   -6.196300      0.2403000      0.8636000    
 O    5.400400      0.5550000     -3.9400000E-02
 O    6.442000      -1.372300     -0.6294000    
 N  -9.2000002E-03  0.8266000      8.0499999E-02
 N   -5.437100      -2.034100     -0.4962000    
 N    3.194000     -0.5978000      0.7520000    
 C   -3.293800      -1.004300      8.6999997E-02
 C   -2.239000      2.4000000E-02 -0.3266000    
 C    1.305400      0.9089000      0.6737000    
 C   -4.621200     -0.8284000     -0.6589000    
 C  -0.9524000     -0.1133000      0.4696000    
 C    1.839700       2.337600      0.6708000    
 C    2.227400     -4.5899998E-02 -7.6800004E-02
 C   -5.427400      0.3233000     -8.6199999E-02
 C    4.213400      -1.501200      0.2712000    
 C    5.462800     -0.7895000     -0.1799000    
 H   -3.459200     -0.9457000       1.171300    
 H   -2.884400      -2.004500     -0.1100000    
 H   -2.002300     -9.0700001E-02  -1.391000    
 H   -2.617000       1.040700     -0.1713000    
 H    1.219800      0.5721000       1.714300    
 H   -4.458600     -0.6680000      -1.730400    
 H  -0.2210000       1.445400     -0.6973000    
 H    2.825600       2.383200       1.145100    
 H    1.157400       3.006800       1.205600    
 H   -4.936900      -2.838900     -0.8721000    
 H   -6.288400      -1.947600      -1.050700    
 H    3.219800     -0.3370000       1.733300    
 H    3.817500      -2.077600     -0.5702000    
 H    4.470900      -2.168300       1.098500    
 H    2.313400       3.720500     -0.6116000    
 H   -5.757200       2.219200     -0.3988000    
 H    6.224600      0.9944000     -0.3391000    


%chk=000126027-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126027

0 1
O 1.450241 2.481475 0.896642
O -1.083384 -0.777916 1.859480
O 2.065464 0.148880 -1.717811
O -4.344055 0.375442 -2.279390
O -6.519021 0.686624 -1.549863
O 6.104391 -0.064772 0.953597
O 7.246358 0.090019 -1.069542
N 0.033608 -0.017028 -0.025465
N -6.053496 -0.564601 0.827461
N 3.708364 -0.035916 -0.096397
C -3.622756 -0.181778 0.513711
C -2.350257 -0.604725 -0.251613
C 1.344210 -0.002919 0.634431
C -4.964094 -0.629602 -0.141536
C -1.101171 -0.474874 0.623534
C 1.472152 1.203743 1.607127
C 2.399850 0.044530 -0.493487
C -5.379723 0.210790 -1.350119
C 4.789978 0.066818 -1.077292
C 6.169999 0.034893 -0.446509
H -3.646171 0.911104 0.676369
H -3.583058 -0.645098 1.516874
H -2.440200 -1.675440 -0.532684
H -2.244443 -0.039235 -1.192310
H 1.465509 -0.927185 1.236894
H -4.791971 -1.656978 -0.561287
H 0.067767 0.096826 -1.048150
H 2.440923 1.184133 2.135007
H 0.656597 1.126518 2.351443
H -6.023308 -1.238621 1.590298
H -6.976475 -0.336712 0.454893
H 3.971947 -0.090168 0.889752
H 4.699541 1.001878 -1.663823
H 4.731915 -0.752922 -1.819087
H 0.599392 2.537176 0.390388
H -4.691433 0.894223 -3.055495
H 7.020710 -0.074384 1.339458


