%chk=000051800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051800

0 1
 S  -0.9960000      7.7799998E-02   1.856100    
 S    3.224500     -0.6910000     -0.3066000    
 S   -3.816500      -3.757600      0.6173000    
 O   -1.532600       3.396800      -1.354800    
 O    1.558700       3.861100     -0.8056000    
 O    2.020000       1.921300      -1.925800    
 O   -5.054800       1.516500       1.893900    
 O   -7.081400      -1.035400     -0.8282000    
 O    7.287100      -2.501300       1.697600    
 O    8.899300      -1.445800     -7.5099997E-02
 N  -0.4341000       2.188100      0.3463000    
 N   -3.358100       1.256500      0.2928000    
 N    5.765700     -0.1098000      -1.086800    
 N   -6.523500      0.1116000     -0.2466000    
 N    5.400300      -1.675900      0.6977000    
 N    7.129400     -0.3496000      -1.077800    
 N   -4.589900      -2.029100      -1.142400    
 N   -3.773700      -4.065600      -2.023800    
 C   -1.175500       1.849400       1.547500    
 C   -2.439300       2.287100      0.7750000    
 C   -1.447400       2.793200     -0.3109000    
 C   0.8763000       1.886400      0.1578000    
 C    1.516800      0.9920000      0.9479000    
 C   0.8173000      0.1795000       2.035300    
 C    2.987700      0.6647000      0.8542000    
 C    1.550600       2.525100     -0.9823000    
 C   -4.567600      0.9857000      0.9089000    
 C   -5.338500     -0.1186000      0.2329000    
 C    4.989500     -0.8506000     -0.2142000    
 C   -4.782100      -1.469400      0.1057000    
 C   -4.421700      -2.255100       1.180400    
 C    5.298300      0.8133000      -2.104600    
 C    6.757400      -1.832600      0.8153000    
 C    7.706900      -1.187300     -0.1586000    
 C   -4.085400      -3.233900     -0.9947000    
 C   -8.367500     -0.6973000      -1.323700    
 H  -0.9292000       2.495900       2.398100    
 H   -2.972600       3.117900       1.253900    
 H    1.179200     -0.8537000       2.030900    
 H    1.052300      0.6091000       3.015400    
 H   -3.110500      0.7094000     -0.5286000    
 H    3.385600      0.3938000       1.838800    
 H    3.559600       1.537600      0.5223000    
 H    2.001100       4.328600      -1.545900    
 H   -4.481000      -2.030500       2.236200    
 H    7.677300      0.1318000      -1.782500    
 H    4.756100       1.645600      -1.646300    
 H    4.640200      0.3041000      -2.816100    
 H    6.122100       1.250600      -2.680300    
 H   -9.014600     -0.3634000     -0.5066000    
 H   -8.288500      8.4299996E-02  -2.085700    
 H   -8.808400      -1.588000      -1.779000    
 H   -3.916800      -3.795500      -2.991300    
 H   -3.385300      -4.989500      -1.865500    


%chk=000051800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051800

0 1
S -0.942159 -0.369132 2.147326
S 3.989291 -1.183365 1.211181
S -3.680191 -3.637487 -1.007508
O -0.579330 2.035829 -1.656829
O 1.930219 3.403964 -0.411810
O 3.407011 1.616201 -0.558821
O -4.805126 2.167200 0.856404
O -7.494729 -0.750626 -0.488299
O 7.315641 2.613699 0.755055
O 8.491950 1.386500 -1.635104
N 0.051825 1.763260 0.689316
N -3.068112 0.818187 0.098704
N 5.618027 -0.723811 -0.938569
N -6.641873 0.320357 -0.070470
N 5.931173 0.729008 0.931005
N 6.753230 -0.128911 -1.539970
N -5.137854 -1.630061 -2.056325
N -4.749030 -3.412922 -3.602633
C -1.040424 1.449003 1.630077
C -2.070028 1.780678 0.477593
C -0.808384 1.914714 -0.445771
C 1.414284 1.454333 0.858936
C 1.822289 0.573797 1.842444
C 0.850557 -0.171909 2.749083
C 3.266641 0.321136 2.179528
C 2.359148 2.121138 -0.091110
C -4.425832 1.092070 0.310509
C -5.359635 0.004045 -0.172079
C 5.320808 -0.272152 0.327436
C -4.838429 -1.276679 -0.726879
C -4.071230 -2.184932 -0.010311
C 4.745925 -1.481848 -1.854109
C 6.901520 1.525779 0.288487
C 7.477000 0.964043 -1.027846
C -4.630790 -2.808669 -2.375708
C -8.896874 -0.291044 -0.382331
H -1.064057 2.081155 2.529788
H -2.585611 2.739604 0.667962
H 1.208873 -1.207626 2.892368
H 0.815819 0.304626 3.746819
H -2.794972 -0.062650 -0.344988
H 3.390013 0.054646 3.241444
H 3.971114 1.134184 1.934836
H 2.534055 3.800575 -1.096516
H -3.758409 -2.143908 1.030834
H 7.100996 -0.584288 -2.389329
H 3.841770 -1.780040 -1.304388
H 5.260764 -2.387814 -2.222601
H 4.452063 -0.838827 -2.703317
H -9.117326 0.029647 0.649681
H -9.079268 0.539859 -1.084231
H -9.496535 -1.172724 -0.656763
H -5.278817 -2.928608 -4.324392
H -4.340179 -4.320907 -3.799907


