%chk=000097676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097676

0 1
 S   -3.800500       1.329500     -4.1000000E-03
 S    3.800500       1.329600     -4.9000001E-03
 N   -1.195300      0.7476000      4.9000001E-03
 N    1.195300      0.7475000      5.7999999E-03
 N   -2.777900      -1.020000      7.9999998E-04
 N    2.777900      -1.020100      2.7999999E-03
 N   -4.148900      -1.208900     -2.9000000E-03
 N    4.148900      -1.208900     -2.7000001E-03
 C    0.000000     -7.6399997E-02  1.0500000E-02
 C   -2.467300      0.2551000      5.0000002E-04
 C    2.467300      0.2551000      2.4000001E-03
 C   -4.799300     -6.4999998E-02 -5.5000000E-03
 C    4.799200     -6.4999998E-02 -7.4000000E-03
 H  -3.0000001E-04 -0.7127000      0.9033000    
 H   3.9999999E-04 -0.7236000     -0.8743000    
 H   -1.050700       1.753300      5.5999998E-03
 H    1.050700       1.753100      4.9999999E-03
 H   -5.878600     -6.8999999E-03 -8.5000005E-03
 H    5.878600     -6.8000001E-03 -1.2200000E-02


%chk=000097676-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097676

0 1
S -3.024124 1.114443 1.345651
S 3.018155 0.940280 -1.452428
N -0.843777 -0.645490 0.956197
N 0.831089 -0.750016 -0.854295
N -2.193717 -0.070085 -0.924846
N 2.204334 0.015297 0.941311
N -3.341108 0.662348 -1.274916
N 3.360180 0.772618 1.198537
C -0.005311 -1.498783 0.097073
C -1.890701 0.034268 0.385052
C 1.887920 -0.020217 -0.368707
C -3.879280 1.325477 -0.266768
C 3.891793 1.318517 0.119013
H 0.651521 -2.084890 0.756891
H -0.661961 -2.158051 -0.490228
H -0.423255 -0.313684 1.826208
H 0.400626 -0.506117 -1.748511
H -4.756457 1.964312 -0.354107
H 4.774071 1.956273 0.127971


