%chk=000080556.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080556

0 1
 O    2.894000      -1.349000     -5.4000001E-03
 N    4.017300      0.6885000      1.8000000E-03
 N    5.265700      0.1016000      2.2399999E-02
 C   -2.126600     -0.3939000      2.4000000E-02
 C  -0.9130000      0.5369000      4.1999999E-03
 C   -3.435300      0.3979000      2.4100000E-02
 C   0.3947000     -0.2545000     -2.9999999E-02
 C   -4.647900     -0.5327000      9.8000001E-03
 C    1.606000      0.6744000     -1.6100001E-02
 C   -5.950700      0.2504000     -2.4000000E-02
 C    2.895800     -0.1195000     -1.0800000E-02
 H   -2.084700      -1.036000      0.9121000    
 H   -2.096900      -1.052300     -0.8528000    
 H  -0.9658000       1.193600     -0.8727000    
 H  -0.9317000       1.180700      0.8920000    
 H   -3.475900       1.043000      0.9102000    
 H   -3.466900       1.053600     -0.8546000    
 H   0.4196000     -0.8859000     -0.9271000    
 H   0.4340000     -0.9293000      0.8345000    
 H   -4.635200      -1.174100      0.8986000    
 H   -4.602800      -1.190600     -0.8660000    
 H    1.598800       1.323000     -0.8997000    
 H    1.588100       1.310800      0.8763000    
 H   -6.804400     -0.4345000     -3.2400001E-02
 H   -6.042400      0.8970000      0.8544000    
 H   -6.008900      0.8769000     -0.9198000    
 H    3.961400       1.702000     -3.9999999E-04
 H    5.774200      0.4600000     -0.7848000    
 H    5.749400      0.4640000      0.8430000    


%chk=000080556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080556

0 1
O 3.181313 -0.764166 1.176555
N 4.017215 0.684866 -0.431438
N 5.334869 0.151504 -0.412981
C -2.085530 -0.332068 -0.035067
C -0.901127 0.648576 0.121830
C -3.465173 0.361908 0.017995
C 0.471605 -0.057525 0.086863
C -4.649088 -0.620416 -0.136257
C 1.653603 0.931001 0.236698
C -6.024274 0.078870 -0.075016
C 2.991935 0.203576 0.379390
H -2.030367 -1.100577 0.763749
H -1.985808 -0.876778 -0.997299
H -0.950853 1.413438 -0.681749
H -1.005962 1.197279 1.081507
H -3.566223 0.905993 0.980595
H -3.522556 1.130906 -0.780962
H 0.578434 -0.618437 -0.863504
H 0.539457 -0.802145 0.902146
H -4.587862 -1.390263 0.659851
H -4.549866 -1.161407 -1.099573
H 1.673860 1.642233 -0.613025
H 1.502685 1.530390 1.156924
H -6.853001 -0.643589 -0.191767
H -6.161937 0.597692 0.892595
H -6.120141 0.835677 -0.876643
H 3.868263 1.465892 -1.071779
H 5.323495 -0.834188 -0.713607
H 5.732934 0.223756 0.534770


