%chk=000131518.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131518

0 1
 O  -0.4280000      -2.090400       2.276600    
 O   -3.980000     -0.4239000      -1.707000    
 O   -1.814300      0.7542000       1.837800    
 N    4.756900      0.8013000      3.3100002E-02
 N   -2.204600     -0.5676000     -6.5099999E-02
 N   -2.478000      -2.234300      -1.580500    
 N    6.534600       1.672700      -1.113100    
 C    5.559100       1.385300       1.092500    
 C   -1.273800      -1.584800      0.1495000    
 C    3.517700      0.2137000      0.3164000    
 C   -1.434000      -2.565900     -0.7547000    
 C    6.597000       2.171000      0.2860000    
 C    5.451300      0.9312000      -1.150500    
 C    1.081500     -0.9443000      0.8730000    
 C  -0.2362000      -1.571800       1.172900    
 C  -0.7055000      -3.839400     -0.9809000    
 C    2.515900      0.1957000     -0.6541000    
 C    3.285500     -0.3547000       1.568800    
 C   -3.024100     -0.9868000      -1.194700    
 C    1.282200     -0.3909000     -0.3723000    
 C    2.051800     -0.9412000       1.850600    
 C    5.086600      0.2650000      -2.444700    
 C   -2.391800      0.5427000      0.7741000    
 C   -1.308000      -4.994000     -0.1940000    
 C   -3.430000       1.511700      0.3734000    
 C   -4.738600       1.349100      0.8193000    
 C   -3.093800       2.584400     -0.4475000    
 C   -5.718800       2.266700      0.4415000    
 C   -4.074000       3.502000     -0.8255000    
 C   -5.386600       3.343200     -0.3810000    
 H    6.054200      0.6096000       1.687600    
 H    4.991500       2.051000       1.751800    
 H    6.367800       3.242500      0.2909000    
 H    7.602700       2.033000      0.6955000    
 H  -0.6945000      -4.086600      -2.049300    
 H   0.3449000      -3.724300     -0.6879000    
 H   -2.808300      -2.811800      -2.344300    
 H    2.641300      0.6675000      -1.622200    
 H    4.046200     -0.3683000       2.344100    
 H   0.5300000     -0.3703000      -1.152900    
 H    1.891700      -1.380200       2.830500    
 H    4.396300      0.9019000      -3.003600    
 H    4.638400     -0.7151000      -2.267100    
 H    5.985700      0.1224000      -3.052600    
 H  -0.7432000      -5.913100     -0.3805000    
 H   -2.348600      -5.172100     -0.4856000    
 H   -1.284400      -4.796500      0.8831000    
 H   -5.007300      0.5136000       1.460200    
 H   -2.073900       2.716200     -0.7989000    
 H   -6.740900       2.142800      0.7874000    
 H   -3.815300       4.340000      -1.466100    
 H   -6.149800       4.057600     -0.6754000    


%chk=000131518-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131518

0 1
O 0.333858 -3.656622 1.149044
O -4.200348 -0.817256 -1.396221
O -1.443920 -0.248134 1.732033
N 4.148219 1.484251 0.220353
N -2.053300 -1.231941 -0.295856
N -3.128746 -2.942501 -1.266512
N 5.583558 3.148634 -0.507797
C 5.046614 1.706955 1.394295
C -1.284456 -2.436617 -0.087180
C 3.127392 0.514669 0.255919
C -1.966662 -3.482071 -0.693276
C 5.852583 2.966631 0.954556
C 4.615483 2.321021 -0.842460
C 1.054571 -1.468777 0.448439
C 0.044121 -2.556874 0.560686
C -1.626347 -4.940232 -0.803533
C 2.052423 0.477965 -0.684330
C 3.129267 -0.463843 1.301056
C -3.249750 -1.557066 -1.044170
C 1.045330 -0.494532 -0.585065
C 2.121803 -1.433881 1.383388
C 4.107107 2.250657 -2.258153
C -1.939043 -0.085167 0.585191
C -2.296837 -5.784079 0.316319
C -2.373115 1.242667 0.071983
C -2.645053 2.255617 1.030512
C -2.439794 1.550733 -1.311639
C -2.994829 3.553512 0.611379
C -2.776076 2.854638 -1.728313
C -3.059527 3.856433 -0.770311
H 5.705833 0.829751 1.546336
H 4.451723 1.863684 2.310626
H 5.525968 3.876698 1.492401
H 6.936669 2.850883 1.120290
H -1.928950 -5.319988 -1.799905
H -0.533479 -5.052334 -0.710906
H -3.839478 -3.461002 -1.780136
H 1.982122 1.223282 -1.476973
H 3.928255 -0.467170 2.047330
H 0.244995 -0.497380 -1.333217
H 2.140414 -2.189233 2.175649
H 3.126235 2.747004 -2.370226
H 4.010866 1.209815 -2.611476
H 4.829515 2.786563 -2.891596
H -2.042313 -6.851358 0.189820
H -3.397951 -5.688275 0.301608
H -1.925313 -5.450097 1.299128
H -2.571242 2.003487 2.093385
H -2.234313 0.777354 -2.057052
H -3.214399 4.327778 1.354125
H -2.825852 3.088720 -2.796931
H -3.329330 4.866730 -1.098020


