%chk=000105519.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105519

0 1
 S    2.127300     -0.9087000      0.3691000    
 O    1.831700       2.088500      0.3183000    
 O    2.959800     -0.2908000       1.390000    
 O    1.801500      -2.324500      0.4580000    
 O   -2.911900       2.143200      1.7000001E-02
 O    5.133700     -0.9126000     -0.3032000    
 O   -2.320600      -2.926000      0.1121000    
 N   -2.979000     -0.6636000      4.3099999E-02
 C   0.6400000      6.0000001E-03  0.2652000    
 C    2.910200     -0.6529000      -1.206400    
 C   0.6572000       1.400700      0.2515000    
 C  -0.5741000     -0.6772000      0.1955000    
 C   -1.771000      3.4400001E-02  0.1122000    
 C   -1.753700       1.429000      9.8399997E-02
 C    4.235400      -1.384000      -1.299300    
 C  -0.5396000       2.112200      0.1681000    
 C   -3.176700      -2.049900      4.5299999E-02
 C    1.750700       3.512100      0.2981000    
 C   -3.381100       2.468900      -1.289400    
 C   -4.639700      -2.404800     -4.3600000E-02
 H    2.223500      -1.003300      -1.982500    
 H    3.071600      0.4227000      -1.319900    
 H  -0.5363000      -1.754800      0.2055000    
 H    4.100800      -2.461100      -1.157100    
 H    4.689400      -1.215000      -2.280700    
 H  -0.5975000       3.195500      0.1543000    
 H   -3.812400     -8.1799999E-02 -1.1200000E-02
 H    5.963500      -1.408100     -0.4099000    
 H    1.218100       3.899700       1.173300    
 H    1.332100       3.880200     -0.6449000    
 H    2.775800       3.892500      0.3582000    
 H   -2.667200       3.124100      -1.798500    
 H   -4.332000       2.999400      -1.189200    
 H   -3.546900       1.563700      -1.881900    
 H   -5.165900      -2.023200      0.8358000    
 H   -4.755700      -3.491400     -8.4299996E-02
 H   -5.073900      -1.968500     -0.9476000    


%chk=000105519-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105519

0 1
S 2.433548 -0.442366 0.932827
O 1.805112 2.328416 -0.123591
O 2.931694 0.428609 2.215289
O 2.199610 -2.073686 1.097095
O -3.060549 1.507421 -0.726600
O 3.755870 -2.655289 -1.140394
O -1.886235 -3.116962 0.513392
N -2.758854 -1.024819 -0.078364
C 0.775967 0.201821 0.279652
C 3.692924 -0.247119 -0.536228
C 0.639184 1.557021 -0.087426
C -0.300594 -0.697736 0.299776
C -1.586749 -0.232575 -0.056447
C -1.741471 1.144723 -0.410363
C 3.401369 -1.319767 -1.591999
C -0.648419 2.034160 -0.435781
C -2.872110 -2.390379 0.196913
C 1.670076 3.785576 -0.226299
C -3.337039 2.903295 -1.076817
C -4.289002 -2.946354 0.085564
H 3.552912 0.795272 -0.862979
H 4.661326 -0.403910 -0.033822
H -0.146280 -1.740204 0.596943
H 2.341508 -1.258164 -1.925646
H 4.040985 -1.115111 -2.470053
H -0.788464 3.076718 -0.729479
H -3.605868 -0.510620 -0.335012
H 3.220933 -2.831405 -0.306996
H 1.024029 4.177994 0.580895
H 1.270250 4.081650 -1.215559
H 2.690926 4.175312 -0.107658
H -3.073578 3.579491 -0.241764
H -4.419729 2.946058 -1.262632
H -2.789560 3.197629 -1.992213
H -4.574643 -3.392486 1.053737
H -4.297310 -3.758544 -0.661629
H -5.044665 -2.193069 -0.196935


