%chk=000127593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127593

0 1
 O   -2.239500       2.581700      -1.120500    
 O   -2.748700      -1.141600     -0.4283000    
 O    3.503500       1.206100     -0.6363000    
 O   0.1446000      -2.818600      0.6769000    
 O   -4.426800      -2.054200      0.8566000    
 N   0.5967000       1.612300     -0.1385000    
 N  -0.2283000       4.261700       1.410600    
 N    2.749000      -3.444900      0.2882000    
 N   -4.459400      -2.201200      -1.437900    
 C  -0.4271000       3.711900      6.8499997E-02
 C  -0.7137000       1.362200      0.1483000    
 C   -1.516900       2.600200      0.1018000    
 C   0.8691000       3.011300     -0.4112000    
 C  -0.8452000      2.0800000E-02  0.3969000    
 C    1.334000      0.4819000     -9.3599997E-02
 C   0.4619000     -0.5385000      0.2408000    
 C   -2.088400     -0.6884000      0.7537000    
 C    2.734400      0.2991000     -0.3332000    
 C   0.9057000      -1.904000      0.3820000    
 C    3.227300      -1.122300     -0.1889000    
 C    2.384500      -2.132400      0.1397000    
 C    4.703200      -1.285300     -0.4408000    
 C   -3.920000      -1.817700     -0.2350000    
 H  -0.6938000       4.532800     -0.6056000    
 H   -2.219400       2.692900      0.9355000    
 H    1.005600       3.110700      -1.492800    
 H    1.774300       3.318000      0.1201000    
 H   -2.759100     -8.2000000E-03   1.294000    
 H   -1.882800      -1.538400       1.413100    
 H   0.5475000       4.922800       1.396500    
 H   4.5499999E-02   3.520000       2.054200    
 H   -2.705900       3.431700      -1.194600    
 H    5.276300     -0.6713000      0.2624000    
 H    4.949700     -0.9665000      -1.459400    
 H    5.056500      -2.313000     -0.3313000    
 H    2.048300      -4.133100      0.5352000    
 H    3.706100      -3.740100      0.1542000    
 H   -5.332400      -2.715800      -1.485600    
 H   -4.001600      -1.981600      -2.316200    


%chk=000127593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127593

0 1
O -2.415532 2.582492 -0.938080
O -2.761774 -1.685219 0.067937
O 3.333798 1.290492 -0.870577
O 0.380404 -3.017598 0.988992
O -3.822541 0.266047 -0.725364
N 0.468160 1.530389 -0.078927
N -0.287780 4.097094 1.645357
N 2.924388 -3.417596 0.286685
N -4.083267 -1.808150 -1.769506
C -0.577165 3.623313 0.285906
C -0.822071 1.237356 0.376039
C -1.663873 2.494135 0.317032
C 0.641403 2.952019 -0.455165
C -0.892831 -0.137085 0.670026
C 1.242905 0.392594 -0.084482
C 0.425016 -0.666503 0.386622
C -2.087879 -0.891881 1.163005
C 2.663876 0.270329 -0.463503
C 0.997611 -1.992032 0.539604
C 3.242755 -1.074494 -0.339030
C 2.462465 -2.132301 0.131415
C 4.692584 -1.274994 -0.720685
C -3.572858 -0.971280 -0.808186
H -0.977048 4.462989 -0.303696
H -2.324490 2.626803 1.192840
H 0.562399 3.048434 -1.552486
H 1.622956 3.327426 -0.128206
H -2.840884 -0.216033 1.602881
H -1.804129 -1.687305 1.866893
H 0.191955 4.998302 1.697936
H 0.112914 3.396506 2.276579
H -3.040429 1.796072 -0.970500
H 5.115375 -0.315092 -1.058655
H 4.806418 -2.007459 -1.545413
H 5.301019 -1.633615 0.134354
H 2.260316 -4.106456 0.650409
H 3.879667 -3.679112 0.061022
H -4.704778 -1.422880 -2.475273
H -3.834352 -2.794706 -1.774300


