%chk=000158679.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158679

0 1
 S   -3.288500       1.468200      1.9999999E-04
 O    1.323100      0.7592000     -1.1000000E-03
 O    4.888100      0.1749000      4.8000002E-03
 N   -2.080700     -0.8173000      5.0000002E-04
 N    3.638500      0.7776000     -2.0999999E-03
 N   -4.442400     -0.9282000      6.9999998E-04
 C   0.3251000     -0.1632000     -5.0000002E-04
 C   -1.112000      0.1673000      3.0000001E-04
 C   0.8442000      -1.436900     -3.9999999E-04
 C    2.492200      6.6699997E-02 -1.7000000E-03
 C    2.251600      -1.287600     -1.2000001E-03
 C   -1.573500       1.466900      1.9999999E-04
 C   -3.265400     -0.2477000      5.0000002E-04
 H   0.2903000      -2.365500      9.9999997E-05
 H    2.992900      -2.074300     -1.5000000E-03
 H   -1.013600       2.392000     -9.9999997E-05
 H    3.652400       1.792800     -6.9999998E-04
 H   -4.473300      -1.942400      6.9999998E-04
 H   -5.336800     -0.4490000      5.0000002E-04
 H    5.247100      0.4573000     -0.8535000    


%chk=000158679-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158679

0 1
S -3.253383 1.630255 0.207364
O 1.333940 0.684443 -0.245688
O 4.361577 0.957548 0.861869
N -2.084555 -0.786627 0.020813
N 3.756607 0.663178 -0.520547
N -4.467120 -0.906531 0.216841
C 0.313446 -0.278083 -0.159508
C -1.056441 0.182069 -0.030258
C 0.860665 -1.558975 -0.246286
C 2.563032 -0.043861 -0.421323
C 2.278617 -1.405764 -0.417501
C -1.461201 1.507835 0.053892
C -3.274785 -0.226270 0.142278
H 0.287307 -2.481758 -0.209104
H 3.016444 -2.194533 -0.546462
H -0.845853 2.403387 0.044185
H 3.637577 1.603577 -0.925468
H -4.442471 -1.922907 0.177361
H -5.355993 -0.426052 0.311839
H 5.191892 0.409869 0.831403


