%chk=000081236.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081236

0 1
 S    2.962800     -0.2910000      8.3099999E-02
 O   -2.739800      0.9104000     -2.5900001E-02
 O    3.402600     -0.4140000      -1.486100    
 O    3.690100      0.8379000      0.6423000    
 O    3.060000      -1.610600      0.6855000    
 N   -2.193600      -1.288900      1.2200000E-02
 C   -1.047400     -0.5314000      2.0900000E-02
 C    1.265000      0.1269000      4.9800001E-02
 C   -1.377900      0.8155000     -2.4000001E-03
 C   0.3062000     -0.8967000      4.7699999E-02
 C   0.8880000       1.475300      2.5800001E-02
 C  -0.4579000       1.856700     -1.2000001E-03
 C   -3.151300     -0.3884000     -1.5500000E-02
 C   -4.606700     -0.6017000     -3.6200002E-02
 H   0.5839000      -1.945100      5.8400001E-02
 H    1.639400       2.261600      1.9400001E-02
 H  -0.7600000       2.896300     -2.1700000E-02
 H   -5.075200     -0.1406000      0.8383000    
 H   -5.046600     -0.1640000     -0.9372000    
 H   -4.842500      -1.670000     -2.6000001E-02
 H    3.313800      0.4128000      -2.016300    


%chk=000081236-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081236

0 1
S 3.009263 -0.196036 0.070729
O -2.845797 0.962895 0.019074
O 3.230744 -0.191675 -1.774172
O 3.853206 1.037351 0.690256
O 3.232111 -1.703818 0.612237
N -2.250506 -1.281924 -0.013513
C -1.074394 -0.483864 0.009399
C 1.187467 0.220651 0.038806
C -1.441468 0.895143 0.028389
C 0.283472 -0.853291 0.010854
C 0.841774 1.590953 0.062248
C -0.524009 1.953371 0.060004
C -3.257649 -0.426767 -0.007716
C -4.722213 -0.679516 -0.024819
H 0.613379 -1.895466 0.006483
H 1.627761 2.351056 0.098496
H -0.838545 2.999077 0.079490
H -5.207236 -0.249726 0.869518
H -5.192123 -0.216484 -0.910576
H -4.900628 -1.764440 -0.046561
H 4.188292 -0.416491 -1.963726


