%chk=000125656.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125656

0 1
 O    2.702500      0.5456000       1.389900    
 O   -1.302700       2.008400     -0.2412000    
 O    4.664100      -1.583800      0.9801000    
 N   -2.451200     -0.5051000      0.2100000    
 N    3.007000       3.338500      4.0399998E-02
 C   0.4387000      0.5435000      0.5608000    
 C  -0.4754000      0.8956000     -0.6034000    
 C   -1.295700     -0.4619000     -0.7000000    
 C    1.655200       1.441400      0.8564000    
 C  -0.4874000      0.2429000       1.823600    
 C    1.250300     -0.6699000      0.1120000    
 C   0.3007000       1.395200      -1.835800    
 C    2.245500       2.163000     -0.3929000    
 C  -0.5088000      -1.529000      -1.525900    
 C   -2.067100      0.1288000       1.519800    
 C    1.201000       2.578000      -1.436700    
 C   0.8817000      -1.641600     -0.8488000    
 C   -3.685900     -3.0000000E-03 -0.3582000    
 C    2.503100     -0.6199000      0.6836000    
 C   -4.841900     -0.2695000      0.5866000    
 C   -6.199700      0.1631000      0.1705000    
 C   -5.842800      -1.294200      0.1964000    
 C    1.813800      -2.634600      -1.131700    
 C    3.426500      -1.608600      0.4261000    
 C    3.068500      -2.623100     -0.4814000    
 H   -1.872400     -0.1772000      -1.598200    
 H    1.407800       2.170400       1.638100    
 H  -0.3665000       1.037500       2.569500    
 H  -0.1696000     -0.6950000       2.296200    
 H  -0.4016000       1.739000      -2.605300    
 H   0.9233000      0.6279000      -2.303800    
 H    2.968100       1.507500     -0.8949000    
 H  -0.3840000      -1.257100      -2.580100    
 H   -1.020400      -2.495200      -1.462100    
 H   -2.505800     -0.4610000       2.333500    
 H   -2.492600       1.136700       1.606400    
 H    1.708100       2.953700      -2.334600    
 H   0.5898000       3.408100      -1.060600    
 H   -3.644200       1.074500     -0.5493000    
 H   -3.898500     -0.4923000      -1.317800    
 H   -4.624200     -0.1276000       1.636600    
 H   -1.875600       2.214200     -0.9990000    
 H   -6.326000      0.6331000     -0.7972000    
 H   -6.873900      0.5292000      0.9352000    
 H   -6.272300      -1.904600      0.9817000    
 H   -5.742800      -1.803800     -0.7539000    
 H    1.588400      -3.417100      -1.850300    
 H    3.686900       3.061600      0.7478000    
 H    2.383200       4.004900      0.4945000    
 H    3.780400      -3.411100     -0.7201000    
 H    5.165300      -2.355000      0.6637000    


%chk=000125656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125656

0 1
O 2.459888 0.324330 1.420111
O -1.014420 2.834804 -0.295293
O 3.715894 -2.344620 1.277337
N -2.369449 0.153692 0.009804
N 3.740744 2.843611 0.041219
C 0.328218 0.934505 0.426901
C -0.407078 1.563647 -0.772360
C -1.535093 0.546760 -1.163691
C 1.715567 1.524312 0.811397
C -0.628005 0.871599 1.668996
C 0.769911 -0.467995 0.010145
C 0.561598 1.915644 -1.925606
C 2.579048 2.037489 -0.380016
C -0.957042 -0.762587 -1.786187
C -2.130943 0.841406 1.298187
C 1.714524 2.806205 -1.405839
C 0.176327 -1.318753 -0.932781
C -3.798253 -0.004069 -0.342834
C 1.955815 -0.780683 0.695017
C -4.621188 -0.761610 0.693789
C -5.680970 -1.771559 0.219749
C -4.389438 -2.263158 0.894024
C 0.766011 -2.599882 -1.085789
C 2.540565 -2.054881 0.561258
C 1.908858 -2.964927 -0.331453
H -2.163389 1.054237 -1.938766
H 1.669725 2.275224 1.617249
H -0.451442 1.762958 2.298562
H -0.358302 -0.017866 2.265059
H -0.001291 2.435401 -2.728074
H 0.987377 0.998307 -2.371977
H 2.981123 1.140150 -0.890711
H -0.592140 -0.573017 -2.818110
H -1.782521 -1.493851 -1.873620
H -2.675413 0.275426 2.075880
H -2.528037 1.882186 1.292664
H 2.372347 3.119616 -2.236144
H 1.296077 3.722445 -0.943979
H -4.284493 0.991837 -0.525136
H -3.847849 -0.557134 -1.302096
H -4.885116 -0.188181 1.589785
H -1.501615 3.241579 -1.057463
H -5.789975 -1.931571 -0.858256
H -6.618409 -1.843010 0.779022
H -4.456484 -2.672420 1.906157
H -3.623380 -2.732984 0.269800
H 0.348132 -3.317271 -1.801478
H 4.390049 2.316410 0.637039
H 3.476051 3.736368 0.476440
H 2.344829 -3.964640 -0.464431
H 4.023955 -3.262382 1.072699


