%chk=000002668.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002668

-1 1
 S   -1.371800     -0.5897000       2.153000    
 O   -1.055700       3.323100     -0.3389000    
 O   -5.233400      -1.857300     -0.2350000    
 O    2.489700     -0.3204000       1.209800    
 O   -4.465700       2.814200      7.6600000E-02
 O   -4.101600       1.732700      -1.906200    
 O    8.151700      0.6417000      0.4510000    
 O    7.922700      -1.490500       1.186800    
 O   -7.537500      -1.788600     -8.1699997E-02
 N   -1.798000       1.151400      0.1945000    
 N    1.413100       1.283800     -7.3600002E-02
 N    7.002900      -2.374700      -1.208700    
 C  -0.8187000      0.1617000      0.6052000    
 C   0.1723000       1.333800      0.7194000    
 C  -0.9427000       2.188600      6.2600002E-02
 C   -3.122700      0.8892000      5.3399999E-02
 C   -3.679400     -0.2348000      0.5643000    
 C   -2.909400      -1.240900       1.416800    
 C    2.473800      0.4473000      0.2512000    
 C   -5.134900     -0.6165000      0.4313000    
 C    3.638500      0.6120000     -0.7107000    
 C   -3.986400       1.919000     -0.6669000    
 C    4.830600     -0.2910000     -0.3908000    
 C    5.983500     -0.1021000      -1.389200    
 C    7.239300     -0.9362000      -1.090700    
 C    7.795000     -0.6610000      0.2955000    
 C   -6.502600      -2.339300     -0.4318000    
 C   -6.452700      -3.655400      -1.147000    
 H  -0.5855000     -0.5536000     -0.1931000    
 H   0.3866000       1.677000       1.740500    
 H    1.512300       1.884200     -0.8890000    
 H   -2.665100      -2.121300      0.8125000    
 H   -3.529400      -1.573400       2.256100    
 H   -5.705800      0.1329000     -0.1264000    
 H   -5.581100     -0.6938000       1.430700    
 H    3.274400      0.3973000      -1.722700    
 H    3.953300       1.662300     -0.6846000    
 H    4.503600      -1.337900     -0.3953000    
 H    5.174900     -7.4400000E-02  0.6275000    
 H    5.625600     -0.3383000      -2.399800    
 H    6.260000      0.9602000      -1.403900    
 H    8.022100     -0.6714000      -1.811900    
 H    7.887000      -2.875700      -1.126500    
 H    6.641400      -2.585900      -2.138000    
 H   -7.470600      -4.028300      -1.292900    
 H   -5.984600      -3.526700      -2.126100    
 H   -5.898100      -4.381400     -0.5473000    
 H    8.510600      0.8174000       1.346900    


%chk=000002668-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002668

-1 1
S -1.582106 -0.738105 2.138633
O -0.932175 3.369842 0.014162
O -5.601183 -1.592184 -0.582354
O 2.909780 0.794416 1.635435
O -5.025117 2.295562 -1.121413
O -2.975880 2.128828 -2.256053
O 8.132232 0.101098 0.843674
O 7.730399 -2.181319 0.937770
O -6.441802 -2.663983 1.325127
N -1.821774 1.079304 0.049784
N 1.388703 1.035296 -0.115260
N 6.736184 -2.230357 -1.627451
C -0.902716 0.036774 0.547480
C 0.201043 1.133891 0.715577
C -0.898940 2.141187 0.194104
C -3.206059 0.941678 -0.200376
C -3.873115 -0.102062 0.408612
C -3.252766 -1.161130 1.312962
C 2.672951 0.921705 0.394913
C -5.348931 -0.288916 0.181850
C 3.795509 0.990071 -0.650350
C -3.801493 1.904334 -1.286992
C 4.904503 -0.050724 -0.380369
C 6.148700 0.194740 -1.255022
C 7.220254 -0.938561 -1.147398
C 7.698502 -1.108410 0.293551
C -6.157151 -2.657992 0.098702
C -6.397520 -3.818592 -0.854248
H -0.695819 -0.762482 -0.182121
H 0.512351 1.299534 1.760016
H 1.268354 1.165964 -1.122435
H -3.098721 -2.106578 0.759047
H -3.932471 -1.382263 2.155474
H -5.742543 0.518340 -0.457690
H -5.907516 -0.373328 1.131900
H 3.392938 0.872083 -1.675826
H 4.230080 2.009329 -0.591198
H 4.524012 -1.071108 -0.573558
H 5.165758 0.003986 0.693490
H 5.855098 0.254689 -2.322527
H 6.622478 1.158796 -0.985815
H 8.116390 -0.581812 -1.710694
H 6.891791 -3.025885 -1.006818
H 6.804657 -2.409755 -2.626336
H -6.603901 -4.734927 -0.280846
H -7.265735 -3.590864 -1.498938
H -5.525646 -3.961669 -1.513574
H 8.399913 -0.049141 1.790302


