%chk=000131737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131737

0 1
 S   -1.576100      -1.777200      3.0000001E-04
 O   -4.669200      -2.164000      6.9999998E-04
 N   0.8966000     -0.7709000      3.9999999E-04
 N   -3.381700       1.567100     -3.9999999E-04
 N   -4.720300       1.295800     -8.9999998E-04
 N   -5.097500      9.0400003E-02 -3.0000001E-04
 C   -1.018700      0.7592000      1.9999999E-04
 C   -2.431200      0.6185000       0.000000    
 C  -0.4264000     -0.5047000      3.0000001E-04
 C   -2.855600     -0.6725000       0.000000    
 C    1.674600      0.3327000      5.0000002E-04
 C  -0.1493000       1.868400      1.9999999E-04
 C    1.223600       1.641300      6.0000003E-04
 C    3.093600      5.5700000E-02 -9.9999997E-05
 C   -4.249500      -1.011400     -1.9999999E-04
 C    3.779500     -7.7900000E-02   1.207800    
 C    3.778900     -7.8699999E-02  -1.208200    
 C    5.148400     -0.3455000       1.207600    
 C    5.147800     -0.3465000      -1.208300    
 C    5.832600     -0.4798000     -3.9999999E-04
 H  -0.5357000       2.883300      9.9999997E-05
 H    1.909200       2.483300      5.0000002E-04
 H   -3.142500       2.555200     -6.9999998E-04
 H    3.261000      2.3100000E-02   2.158400    
 H    3.259900      2.1600001E-02  -2.158700    
 H    5.681700     -0.4496000       2.148000    
 H    5.680700     -0.4513000      -2.148800    
 H    6.898500     -0.6883000     -6.0000003E-04


%chk=000131737-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131737

0 1
S -1.673286 -1.942253 -0.003556
O -4.929144 -2.148871 -0.000838
N 0.872677 -0.819141 -0.001847
N -3.437687 1.638828 0.001654
N -4.841549 1.422430 0.002470
N -5.289052 0.193871 0.000754
C -1.063604 0.716195 -0.000071
C -2.506763 0.613973 -0.000273
C -0.451192 -0.581135 -0.001734
C -2.987678 -0.703306 -0.002959
C 1.702681 0.269499 -0.000127
C -0.194296 1.835935 0.001708
C 1.192879 1.604543 0.001696
C 3.181788 0.020915 -0.000203
C -4.407191 -1.004566 -0.005124
C 3.888164 -0.087711 1.223837
C 3.886930 -0.094461 -1.224334
C 5.283690 -0.310072 1.222516
C 5.282470 -0.316714 -1.223181
C 5.984042 -0.423711 -0.000380
H -0.581626 2.861043 0.003071
H 1.900412 2.437719 0.002962
H -3.194281 2.629731 0.003460
H 3.345808 -0.009524 2.172682
H 3.343601 -0.021526 -2.173033
H 5.820796 -0.397589 2.173246
H 5.818639 -0.409335 -2.173955
H 7.065673 -0.597471 -0.000443


