%chk=000019019.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019019

1 1
 S    5.664100       1.060100     -9.4300002E-02
 S   -5.575400       1.241600     -2.1500001E-02
 O    4.132900      0.6515000      0.2994000    
 O   -4.470000      4.0800001E-02  3.1199999E-02
 O    5.683300       1.627900      -1.427100    
 O    6.563400     -5.2999998E-03  0.2998000    
 O   -5.579900       1.834200      -1.343500    
 O   -5.471700       2.044700       1.180000    
 N  -4.4000000E-03  -1.907900      3.4200002E-02
 C    1.379000      -1.734000     -0.5758000    
 C  -0.7808000     -0.6048000     -8.8699996E-02
 C   0.1325000      -2.280200       1.503500    
 C  -0.7483000      -3.012900     -0.7019000    
 C    2.102000     -0.6079000      0.1431000    
 C   -2.267500     -0.8993000      1.4900000E-02
 C    3.512200     -0.4199000     -0.3975000    
 C   -3.092300      0.3777000     -5.6000002E-02
 C    5.831600       2.385600       1.073800    
 C   -7.010600      0.2083000      0.1263000    
 H    1.250800      -1.515600      -1.642600    
 H    1.914100      -2.685100     -0.4715000    
 H  -0.5566000     -0.1676000      -1.069100    
 H  -0.4611000      8.3400004E-02  0.7011000    
 H   0.8679000      -3.085600       1.592700    
 H  -0.8358000      -2.635200       1.869100    
 H   0.4292000      -1.409300       2.093000    
 H   -1.646700      -3.310300     -0.1537000    
 H  -8.3999999E-02  -3.883300     -0.7458000    
 H  -0.9648000      -2.680400      -1.721900    
 H    2.198900     -0.7883000       1.218000    
 H    1.584400      0.3516000      3.7599999E-02
 H   -2.518000      -1.418900      0.9471000    
 H   -2.634600      -1.524100     -0.8066000    
 H    3.482200     -0.1844000      -1.467100    
 H    4.100800      -1.332900     -0.2542000    
 H   -2.907900      0.9004000      -1.001200    
 H   -2.831700       1.046000      0.7722000    
 H    5.702600       1.987200       2.081900    
 H    6.831900       2.809700      0.9650000    
 H    5.078500       3.145500      0.8571000    
 H   -6.960200     -0.3343000       1.072200    
 H   -7.894100      0.8499000      0.1108000    
 H   -7.036900     -0.4836000     -0.7176000    


%chk=000019019-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019019

1 1
S 5.917882 1.079353 -0.007741
S -5.733966 1.411516 0.047287
O 4.072119 0.834614 0.413019
O -4.596507 -0.100331 0.316660
O 6.019996 1.357381 -1.596166
O 6.731392 -0.144917 0.661487
O -5.448782 1.937893 -1.455600
O -5.567379 2.405458 1.307322
N -0.005829 -2.035300 -0.025601
C 1.423251 -1.661806 -0.514791
C -0.936048 -0.803799 -0.172297
C 0.043608 -2.507200 1.426109
C -0.499698 -3.183983 -0.905830
C 2.094563 -0.488432 0.217886
C -2.426703 -1.074074 0.095383
C 3.533743 -0.323829 -0.314940
C -3.193005 0.265222 0.077533
C 6.088949 2.674071 1.001133
C -7.339181 0.410944 0.158149
H 1.323746 -1.443165 -1.593217
H 2.024984 -2.582162 -0.402886
H -0.783503 -0.430279 -1.201067
H -0.551201 -0.046612 0.531058
H 0.798941 -3.303218 1.514296
H -0.941117 -2.900850 1.714668
H 0.309797 -1.664593 2.079374
H -1.472276 -3.539996 -0.539290
H 0.233142 -4.004324 -0.861358
H -0.598066 -2.826927 -1.942444
H 2.156979 -0.661583 1.306662
H 1.561588 0.462933 0.046804
H -2.588974 -1.542007 1.083069
H -2.870062 -1.728732 -0.674503
H 3.537772 -0.128736 -1.406321
H 4.137792 -1.229773 -0.101153
H -3.090634 0.769960 -0.905627
H -2.827677 0.940426 0.877466
H 5.825930 2.407238 2.032776
H 7.138275 2.983184 0.896991
H 5.388686 3.389894 0.552038
H -7.327327 -0.065264 1.147125
H -8.154441 1.139553 0.048795
H -7.301756 -0.312748 -0.665858


