%chk=000002591.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002591

0 1
 S    1.551300     -0.8557000       1.274500    
 O    3.867700       1.571100      0.6239000    
 O    1.783400      0.3358000       2.068600    
 O    1.840300      -2.170200       1.815400    
 O   -2.998900       2.565000      0.2900000    
 O   -5.429100       1.293900     -0.5639000    
 N    2.316500     -0.6877000     -0.2341000    
 N   -4.097600     -0.6567000     -0.3766000    
 C    2.268800      0.6531000     -0.9018000    
 C    1.914500      0.3516000      -2.360400    
 C    2.062200      -1.738700      -1.257000    
 C    2.414900      -1.065300      -2.572600    
 C    3.629300       1.320500     -0.7517000    
 C  -0.1437000     -0.8415000      0.7748000    
 C  -0.8125000      0.3722000      0.7066000    
 C  -0.7641000      -2.058200      0.4614000    
 C   -2.130500      0.3153000      0.3103000    
 C   -2.769300     -0.8796000     -6.3999998E-03
 C   -2.104600      -2.086200      6.1600000E-02
 C    5.128100       2.196100      0.8325000    
 C   -3.120100       1.375000      0.1294000    
 C   -4.406500      0.6904000     -0.3246000    
 H    1.507300       1.302200     -0.4633000    
 H    2.347400       1.062900      -3.070000    
 H   0.8245000      0.3744000      -2.485300    
 H    1.021800      -2.052600      -1.304200    
 H    2.694900      -2.611700      -1.075100    
 H    1.948100      -1.554700      -3.432100    
 H    3.500600      -1.066900      -2.724800    
 H    3.640700       2.269100      -1.301400    
 H    4.426200      0.6785000      -1.146500    
 H  -0.3486000       1.319000      0.9526000    
 H  -0.2264000      -3.000400      0.5258000    
 H   -2.592600      -3.023000     -0.1818000    
 H    5.938900       1.549400      0.4835000    
 H    5.253900       2.365500       1.905200    
 H    5.167000       3.161600      0.3190000    
 H   -4.736100      -1.396100     -0.6449000    


%chk=000002591-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002591

0 1
S 1.671812 -1.526712 0.989314
O 2.213727 1.848397 0.162897
O 2.145780 -0.737522 2.318480
O 1.552793 -3.162984 0.987815
O -2.086764 3.124843 1.356590
O -4.943295 2.558114 0.404357
N 2.947404 -1.079266 -0.413712
N -3.973362 0.434143 -0.040494
C 2.463533 -0.001151 -1.361483
C 2.926662 -0.493829 -2.759689
C 3.310567 -2.303644 -1.212742
C 2.818420 -2.034091 -2.653699
C 3.025522 1.361046 -0.954185
C -0.078520 -0.910392 0.566923
C -0.442293 0.405417 0.906463
C -0.971909 -1.851154 0.016716
C -1.778997 0.764881 0.659817
C -2.704088 -0.170828 0.099461
C -2.318413 -1.483818 -0.226317
C 2.892847 2.862774 0.971740
C -2.494933 2.039130 0.888835
C -3.973849 1.772031 0.403992
H 1.354538 0.069047 -1.356114
H 3.978426 -0.196642 -2.935926
H 2.308985 -0.064782 -3.566905
H 2.880241 -3.208655 -0.743232
H 4.412594 -2.395480 -1.173075
H 1.766544 -2.356285 -2.773364
H 3.425722 -2.558261 -3.410816
H 2.968158 2.076633 -1.804483
H 4.085530 1.240302 -0.647295
H 0.285779 1.106797 1.322306
H -0.618796 -2.869522 -0.179968
H -3.024731 -2.208961 -0.641664
H 3.817623 2.451510 1.423270
H 2.189613 3.142757 1.771423
H 3.140429 3.761684 0.369648
H -4.805601 -0.028127 -0.408286


