%chk=000004399.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004399

0 1
 S    3.140400      -3.353900      -1.483400    
 O    2.408100      3.0999999E-02 -6.5899998E-02
 O  -0.6299000     -0.7487000       1.478300    
 O    3.715200      -1.089000       1.458900    
 O    3.669500       3.030400       1.402700    
 O    1.819000       1.778000       1.793300    
 O   -6.150900      -1.191500     -6.9300003E-02
 O   -5.995400      0.4969000       1.443000    
 N   0.5807000      -1.800200     -0.1995000    
 N   -4.842500       2.163700     -0.3839000    
 C    3.282900       1.896300      -1.361900    
 C    3.309300       1.142000     -1.8900000E-02
 C   -2.776200     -0.1083000     -0.2091000    
 C   -3.838900      8.9900002E-02  -1.298200    
 C   -1.564000     -0.8632000     -0.7530000    
 C    1.713700      -2.157500      0.6202000    
 C   -5.116700      0.7959000     -0.8210000    
 C  -0.5114000      -1.114500      0.3118000    
 C    3.771800       1.033700      -2.527400    
 C    1.872800       2.414500      -1.671300    
 C    2.731700      -1.027800      0.7283000    
 C    2.361100      -3.466800      0.1609000    
 C    2.834900       1.991600       1.143900    
 C   -5.785200      5.7599999E-02  0.3216000    
 H    3.948100       2.766000      -1.286500    
 H    4.333500      0.8064000      0.1860000    
 H   -2.453600      0.8628000      0.1853000    
 H   -3.199200     -0.6683000      0.6334000    
 H   -4.107500     -0.8917000      -1.709700    
 H   -3.401200      0.6590000      -2.128900    
 H   -1.100800     -0.2910000      -1.565700    
 H   -1.876300      -1.833400      -1.157600    
 H    1.333800      -2.305600       1.639500    
 H   -5.834900      0.8458000      -1.648200    
 H   0.6221000      -2.001700      -1.194600    
 H    4.782100      0.6593000      -2.332000    
 H    3.803600       1.615000      -3.455000    
 H    3.116900      0.1716000      -2.692000    
 H    1.866100       2.959800      -2.621800    
 H    1.520000       3.107400     -0.9010000    
 H    1.148500       1.597100      -1.753800    
 H    1.614000      -4.266900      0.1239000    
 H    3.139300      -3.771200      0.8689000    
 H   -4.402200       2.683300      -1.142300    
 H   -5.720200       2.642200     -0.1837000    
 H    3.576700      -4.621000      -1.531300    
 H    3.355200       3.572700       2.157300    
 H   -6.591500      -1.686400      0.6541000    


%chk=000004399-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004399

0 1
S 1.731520 -2.866204 -1.304008
O 2.703593 0.494992 -0.125848
O -1.180110 -1.571931 1.835426
O 3.908884 -0.836940 1.372614
O 4.464716 3.670621 -0.369641
O 2.227026 3.171851 0.023402
O -5.746585 0.255886 -2.612369
O -5.984369 -1.832958 -1.624147
N 0.373718 -0.450054 0.531062
N -6.321652 -0.569725 0.974195
C 4.432109 1.077517 -1.830963
C 3.878009 1.353859 -0.403291
C -3.344424 -0.283946 0.308614
C -4.430456 0.786107 0.064101
C -1.956900 0.362689 0.515440
C 1.498309 -1.224531 1.070881
C -5.855808 0.204315 -0.177664
C -0.912099 -0.639756 1.013889
C 4.993392 -0.359814 -1.919772
C 3.369698 1.339039 -2.922903
C 2.835937 -0.528772 0.816618
C 1.535778 -2.693783 0.567156
C 3.388020 2.789648 -0.218719
C -5.875005 -0.593986 -1.499948
H 5.263962 1.798698 -1.958135
H 4.662151 1.131366 0.346693
H -3.575816 -0.877820 1.211568
H -3.297862 -0.993340 -0.541423
H -4.158038 1.417694 -0.803073
H -4.505555 1.441202 0.952324
H -2.042465 1.154495 1.288127
H -1.611938 0.861125 -0.411258
H 1.381078 -1.298980 2.172462
H -6.534846 1.065300 -0.322389
H 0.603979 0.352382 -0.061508
H 5.735465 -0.558663 -1.125474
H 5.486582 -0.510256 -2.896930
H 4.183499 -1.106156 -1.830526
H 3.804362 1.154538 -3.921233
H 2.997365 2.380052 -2.903963
H 2.508297 0.659804 -2.795122
H 0.607841 -3.194525 0.879918
H 2.406107 -3.214033 0.997914
H -7.326631 -0.769145 0.961821
H -5.780339 -1.424707 1.139560
H 0.541129 -2.231947 -1.621194
H 4.149800 4.607403 -0.250550
H -5.758928 -0.287309 -3.447335


