%chk=000125139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125139

0 1
 S   -1.389000     -0.2290000     -6.1999999E-02
 O   0.5913000      -3.629900      0.8343000    
 O  -0.4198000       3.184800       1.257700    
 O    2.583800       1.617800      -2.096800    
 O    5.130100     -0.7245000       2.154500    
 O    5.995400      -2.013000      0.5014000    
 O   -3.838100       2.287400      0.7420000    
 O   -4.801000       4.180900       1.539100    
 N   -3.662100      -2.916200      6.0000003E-04
 N    1.239000       1.654100     -0.2032000    
 N   -1.895400       3.512300     -0.5022000    
 N    7.241100      0.2183000     -0.5316000    
 C   -2.196900      -1.464700      -1.121300    
 C   -3.674700      -1.078800      -1.420200    
 C   -2.369200      -2.747100     -0.4022000    
 C   -4.530400      -1.815800     -0.3711000    
 C   -1.661700      -3.853100     -9.7000003E-03
 C   -3.838100      -4.087100      0.6441000    
 C   -2.596300      -4.703600      0.6597000    
 C  -0.7998000      0.8899000      -1.374800    
 C  -0.2292000      -4.119300     -0.2314000    
 C   1.9500000E-02   2.073500     -0.8545000    
 C  -0.7613000       2.980100      9.4599999E-02
 C    2.429400       1.460400     -0.8887000    
 C    3.543300       1.012400      4.2199999E-02
 C    4.866300      0.7926000     -0.6943000    
 C    6.014800      0.4109000      0.2463000    
 C   -2.810600       4.381200      0.2001000    
 C    5.736200     -0.9041000      0.9519000    
 C   -3.916500       3.629600      0.8954000    
 H   -1.630700      -1.607200      -2.047000    
 H   -3.872800     -2.4000001E-03  -1.444600    
 H   -3.938900      -1.470300      -2.412700    
 H   -5.465400      -2.206100     -0.7793000    
 H   -4.704400      -1.211900      0.5241000    
 H   -4.796600      -4.398300       1.035500    
 H   -2.387900      -5.667600       1.103700    
 H  -0.1788000      0.3020000      -2.060300    
 H   -1.669700       1.239100      -1.939100    
 H  -5.1300000E-02  -5.196600     -0.3222000    
 H   0.1115000      -3.647800      -1.159800    
 H   0.3028000       2.692400      -1.716300    
 H    1.210200       1.472400      0.7963000    
 H    3.668900       1.775500      0.8193000    
 H    3.211800      8.5199997E-02  0.5229000    
 H    1.511500      -3.845200      0.6049000    
 H    5.130900       1.708000      -1.240200    
 H    4.722300      9.3999999E-03  -1.451400    
 H    6.191300       1.194300      0.9916000    
 H   -2.096400       3.307300      -1.476000    
 H   -3.256200       5.049400     -0.5421000    
 H   -2.259300       4.960300      0.9468000    
 H    7.466600       1.077700      -1.031400    
 H    8.022400      4.5499999E-02  0.1002000    
 H    4.940300      -1.578100       2.599100    
 H   -4.567600       1.820500       1.202600    


%chk=000125139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125139

0 1
S -2.239722 0.061076 -0.322818
O 1.421461 -2.200429 1.395852
O -0.902407 2.841903 1.800801
O 1.818636 1.433415 -1.976471
O 6.172989 -1.015883 2.026001
O 4.244421 -2.157824 1.458564
O -4.106015 5.377984 -0.811514
O -4.879668 6.170207 1.235693
N -2.646610 -3.508287 -0.241024
N 0.654666 1.570330 0.021333
N -2.225043 3.856468 0.193915
N 6.102364 -1.250086 -1.068844
C -1.960199 -1.559062 -1.382427
C -3.314052 -2.068785 -1.975047
C -1.538214 -2.699126 -0.516845
C -3.883522 -3.040304 -0.894308
C -0.423082 -3.235099 0.150159
C -2.276438 -4.548322 0.599969
C -0.898921 -4.403274 0.851222
C -1.407551 1.369941 -1.404746
C 0.985498 -2.719513 0.082947
C -0.469045 2.288662 -0.569095
C -1.209891 3.012509 0.580920
C 1.758064 1.215715 -0.720923
C 2.905080 0.594778 0.088595
C 3.862396 -0.222481 -0.801883
C 5.228048 -0.495960 -0.147727
C -3.025556 4.558178 1.197720
C 5.104435 -1.288627 1.165708
C -4.092451 5.450870 0.592537
H -1.229135 -1.261011 -2.150641
H -4.005200 -1.244323 -2.208272
H -3.106317 -2.635608 -2.902574
H -4.451961 -3.878890 -1.332273
H -4.531703 -2.509844 -0.170719
H -2.983598 -5.300031 0.943977
H -0.296119 -5.059348 1.477969
H -0.789464 0.861202 -2.163646
H -2.180876 1.967384 -1.920428
H 1.670590 -3.535583 -0.233742
H 1.042513 -1.912573 -0.679744
H -0.063798 3.041519 -1.278267
H 0.588085 1.375507 1.026736
H 3.458500 1.431533 0.564756
H 2.481217 -0.028351 0.899643
H 2.409559 -2.318563 1.470521
H 4.043869 0.325730 -1.742297
H 3.384132 -1.182949 -1.075773
H 5.724619 0.461593 0.089524
H -2.475770 3.987793 -0.788226
H -2.382840 5.180852 1.849616
H -3.523396 3.840316 1.879325
H 5.697153 -2.121484 -1.423412
H 7.078466 -1.339221 -0.773767
H 6.113572 -1.597273 2.833322
H -4.817167 5.970146 -1.175375


