%chk=000127005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127005

0 1
 S   -1.272300       2.155800     -9.8000001E-03
 O  -0.6740000      -2.905200     -7.9400003E-02
 N  -0.9598000     -0.5953000     -8.9999996E-03
 N    1.943700       1.669500      9.3999999E-03
 N    1.226600      -1.668600      2.9000000E-03
 N    3.039300     -0.1428000      3.6100000E-02
 N    3.183500       1.123100      3.4499999E-02
 C   -2.409100     -0.7867000     -7.9200000E-02
 C   -3.254900      0.3562000      0.4524000    
 C  -0.3680000      0.6741000     -1.9500000E-02
 C   -2.962500       1.624300     -0.3165000    
 C   0.9623000      0.7599000     -3.7000000E-03
 C  -0.1571000      -1.786200     -2.9600000E-02
 C    1.702300     -0.4782000      1.1500000E-02
 H   -2.673000      -1.695300      0.4755000    
 H   -2.651200     -0.9855000      -1.131200    
 H   -4.314100      9.9200003E-02  0.3335000    
 H   -3.082900      0.4974000       1.526900    
 H   -3.107600       1.475900      -1.392100    
 H   -3.640300       2.423100      3.9999999E-04
 H    1.776900       2.666200      7.3000002E-03


%chk=000127005-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127005

0 1
S -1.299292 2.198347 -0.513172
O -0.800591 -2.943983 0.132865
N -0.948662 -0.585346 -0.135316
N 1.959292 1.719081 -0.045607
N 1.228983 -1.741337 0.242556
N 3.122454 -0.160568 0.283463
N 3.245599 1.166319 0.159298
C -2.413076 -0.783746 -0.276031
C -3.212068 0.306023 0.459697
C -0.384961 0.656950 -0.206603
C -3.115732 1.669224 -0.235725
C 1.006943 0.714989 -0.051546
C -0.129150 -1.882748 0.099200
C 1.744076 -0.501790 0.161778
H -2.609942 -1.790952 0.126579
H -2.672195 -0.801182 -1.353171
H -4.276784 0.006912 0.482085
H -2.868829 0.375812 1.507960
H -3.584659 1.652092 -1.231934
H -3.552330 2.479021 0.369689
H 1.868725 2.727782 -0.155667


