%chk=000089351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089351

0 1
 O   -2.531100       1.756800      0.7189000    
 N   -3.127900     -0.3458000     -5.6299999E-02
 N    4.224900      0.1224000     -0.2544000    
 N    5.466700     -0.4028000     -0.3178000    
 C   -4.555100     -0.1347000     -3.5000000E-02
 C   -5.278800      -1.440300      0.2678000    
 C   -5.026700      0.4649000      -1.353800    
 C  -0.7876000      0.2690000      0.2238000    
 C   -2.224000      0.6335000      0.3285000    
 C  -0.4285000      -1.059200      0.3228000    
 C   0.1411000       1.270600      3.2099999E-02
 C    1.879500     -0.4073000      3.1900000E-02
 C   0.9203000      -1.401100      0.2258000    
 C    1.490000      0.9285000     -6.4999998E-02
 C    3.285400     -0.7640000     -7.0000000E-02
 C    6.551800      0.5096000      6.0000003E-04
 H   -4.783400      0.5785000      0.7663000    
 H   -2.800200      -1.207600     -0.4798000    
 H   -6.361300      -1.284800      0.3227000    
 H   -5.081100      -2.193800     -0.5028000    
 H   -4.946900      -1.854600       1.226100    
 H   -4.527800       1.419900      -1.551100    
 H   -6.106500      0.6457000      -1.337900    
 H   -4.804200     -0.2016000      -2.194600    
 H   -1.139700      -1.857500      0.5078000    
 H  -0.1463000       2.314600     -5.0400000E-02
 H    1.209400      -2.445600      0.3107000    
 H    2.214900       1.723800     -0.2173000    
 H    3.526000      -1.841500      1.3300000E-02
 H    5.549500      -1.250400      0.2431000    
 H    6.535300       1.381500     -0.6610000    
 H    7.513400      5.4000001E-03 -0.1340000    
 H    6.485200      0.8523000       1.038000    


%chk=000089351-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089351

0 1
O -2.603562 1.789392 0.505525
N -3.211486 -0.378615 -0.068912
N 4.329785 0.044909 -0.044996
N 5.631378 -0.349031 -0.116830
C -4.662615 -0.086381 -0.057667
C -5.443111 -1.363215 0.312436
C -5.121038 0.510504 -1.410309
C -0.821850 0.165732 0.178485
C -2.263956 0.593143 0.220904
C -0.397261 -1.186763 0.259713
C 0.166682 1.183448 0.078421
C 1.963168 -0.494808 0.099900
C 0.972632 -1.511160 0.221067
C 1.531736 0.864561 0.033237
C 3.377021 -0.869981 0.061272
C 6.668818 0.675438 -0.022069
H -4.806278 0.683242 0.722518
H -2.910954 -1.283514 -0.434853
H -6.525241 -1.148429 0.359410
H -5.295188 -2.157311 -0.446269
H -5.123832 -1.753967 1.294957
H -4.537926 1.418340 -1.640197
H -6.190992 0.786571 -1.369203
H -4.983794 -0.217997 -2.231892
H -1.125140 -1.996618 0.393553
H -0.175589 2.223007 0.043097
H 1.284335 -2.560709 0.294958
H 2.289701 1.649350 -0.051016
H 3.614099 -1.952212 0.119063
H 5.887870 -1.336508 0.027484
H 6.332482 1.570075 -0.570176
H 7.598009 0.303233 -0.487635
H 6.888399 0.970675 1.025021


