%chk=000088648.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088648

0 1
 S    1.941800       1.898900      8.0100000E-02
 O    2.623000       1.756000      -1.396100    
 O   -2.822100      -1.460500     -3.7500001E-02
 O    1.432900       3.254500      0.1908000    
 O    2.863200       1.360800       1.063900    
 N   -3.074100       1.268500      4.0000002E-03
 N   -4.034700       1.774000     -6.0000003E-04
 C   0.6896000     -0.5837000      2.3700001E-02
 C   0.5593000      0.8146000      4.4700000E-02
 C  -0.4754000      -1.386700     -4.6999999E-03
 C  -0.7015000       1.412200      3.7900001E-02
 C   -1.736200     -0.7681000     -1.1500000E-02
 C    1.950300      -1.202400      3.0600000E-02
 C   -1.847000      0.6225000      9.8000001E-03
 C  -0.3453000      -2.784900     -2.6100000E-02
 C    2.060700      -2.593100      9.7000003E-03
 C   0.9153000      -3.382800     -1.8800000E-02
 H  -0.8233000       2.491700      5.0600000E-02
 H    2.888100     -0.6620000      2.0000001E-03
 H   -1.205800      -3.450000     -4.9199998E-02
 H    3.041500      -3.060000      4.0000002E-03
 H    1.002700      -4.465300     -3.7999999E-02
 H    2.051400       2.022800      -2.153900    


%chk=000088648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088648

0 1
S 1.915875 2.031514 0.026226
O 2.434657 1.697216 -1.727461
O -2.944602 -1.560234 0.039145
O 1.339863 3.540778 0.140931
O 3.130516 1.570350 0.991382
N -3.156238 1.185576 0.074386
N -4.302538 1.435970 0.092800
C 0.669741 -0.601965 0.010508
C 0.472502 0.836621 0.024560
C -0.513882 -1.424637 0.014719
C -0.751114 1.461294 0.039688
C -1.886818 -0.856422 0.034770
C 1.946091 -1.233565 -0.008534
C -1.929468 0.644388 0.052922
C -0.389471 -2.838561 -0.005079
C 2.043425 -2.635616 -0.027711
C 0.877133 -3.444454 -0.026814
H -0.820936 2.554690 0.046216
H 2.854327 -0.625568 0.003567
H -1.309708 -3.431076 -0.003419
H 3.032337 -3.105694 -0.041686
H 0.964711 -4.535434 -0.042111
H 3.277998 2.211827 -1.893607


