%chk=000066506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066506

0 1
 S    3.527900      -2.050200     -0.2912000    
 O    3.980100      -1.846100       1.262600    
 O    4.117700      -3.292300     -0.7547000    
 O    3.742700     -0.8037000      -1.000700    
 O   -7.410500       2.085500     -0.5328000    
 N    2.533700      0.4748000      0.4343000    
 N   -2.885400     -0.9898000      0.4632000    
 C   0.8266000      -1.312700      0.1014000    
 C  -0.5439000      -1.665400      0.1131000    
 C    1.199300      4.9000001E-03  0.4134000    
 C    1.784100      -2.287900     -0.2219000    
 C   -1.501200     -0.6903000      0.4368000    
 C  -0.9163000      -2.983000     -0.1991000    
 C   0.2347000      0.9610000      0.7327000    
 C   -1.113100      0.6141000      0.7446000    
 C    1.396100      -3.592300     -0.5292000    
 C   4.8400000E-02  -3.939100     -0.5179000    
 C   -4.028200     -0.2132000      0.2121000    
 C    3.100300       1.735800      0.1815000    
 C   -5.230300     -0.4982000      0.8661000    
 C   -3.971000      0.8495000     -0.6943000    
 C    4.274900       2.121800      0.8328000    
 C    2.491700       2.610800     -0.7225000    
 C   -6.365500      0.2727000      0.6157000    
 C   -5.106200       1.620600     -0.9447000    
 C    4.836800       3.373700      0.5822000    
 C    3.053800       3.862600     -0.9731000    
 C   -6.303500       1.332200     -0.2896000    
 C    4.226300       4.244000     -0.3207000    
 H   -1.954900      -3.302500     -0.2137000    
 H   0.4936000       1.976000       1.021300    
 H   -1.834400       1.374000       1.032900    
 H    2.096700      -4.381900     -0.7806000    
 H    3.116200     -8.7399997E-02   1.047400    
 H  -0.2539000      -4.954400     -0.7585000    
 H   -3.096300      -1.910900      0.8350000    
 H   -5.292600      -1.320300       1.574800    
 H   -3.059900       1.083000      -1.238800    
 H    4.762400       1.454200       1.538900    
 H    1.594400       2.332200      -1.268400    
 H    3.803700      -2.610900       1.859500    
 H   -7.292000      3.8199998E-02   1.132800    
 H   -5.053100       2.441300      -1.654800    
 H    5.749900       3.670600       1.089700    
 H    2.582400       4.537900      -1.681200    
 H    4.664600       5.218000     -0.5171000    
 H   -8.146700       1.746500      5.1000002E-03


%chk=000066506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066506

0 1
S 3.547175 -2.165754 -0.641528
O 4.173362 -1.709335 1.109437
O 4.158194 -3.632084 -0.959434
O 3.894772 -0.961110 -1.653980
O -7.621958 2.000942 -0.694284
N 2.521299 0.486001 0.624283
N -2.974316 -0.994677 0.558813
C 0.808910 -1.249047 0.124350
C -0.614033 -1.618959 0.161576
C 1.181354 0.122513 0.412657
C 1.690724 -2.337853 -0.205725
C -1.619344 -0.610121 0.415762
C -1.004748 -2.975564 -0.077719
C 0.149932 1.077623 0.562943
C -1.214578 0.729594 0.557612
C 1.303895 -3.664024 -0.395049
C -0.077626 -3.988064 -0.318910
C -4.121452 -0.211641 0.267953
C 3.116966 1.741082 0.356585
C -5.328337 -0.465040 0.972841
C -4.125202 0.780557 -0.753644
C 4.285785 2.098847 1.086474
C 2.635777 2.628034 -0.646440
C -6.508660 0.244690 0.666729
C -5.295593 1.502348 -1.047281
C 4.952297 3.312091 0.820538
C 3.304627 3.843859 -0.895593
C -6.491476 1.238808 -0.339400
C 4.464221 4.199774 -0.166802
H -2.071295 -3.218112 -0.117227
H 0.426381 2.112430 0.782432
H -1.961250 1.503630 0.755406
H 2.050339 -4.424583 -0.644399
H 3.147537 -0.208935 1.062695
H -0.402047 -5.016637 -0.500244
H -3.153326 -1.871603 1.049506
H -5.345084 -1.218721 1.769646
H -3.217225 0.971053 -1.333256
H 4.659709 1.424615 1.866505
H 1.768201 2.349181 -1.252376
H 5.169506 -1.785403 1.094746
H -7.430730 0.028445 1.221624
H -5.303940 2.263361 -1.833129
H 5.851393 3.568881 1.392494
H 2.925535 4.510725 -1.678629
H 4.979137 5.144854 -0.368382
H -8.404706 1.746725 -0.145776


