%chk=000049340.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049340

0 1
 S   -1.501900       1.671200     -0.1418000    
 O   -1.544100       2.226300      -1.483600    
 O   -1.439100       2.551400       1.012200    
 O   -6.259800      -1.762600      0.4478000    
 N    2.298500      0.3378000     -6.0500000E-02
 C  -0.1463000      0.5454000     -3.5900000E-02
 C    1.182900       1.269600     -0.1706000    
 C   -2.928300      0.6418000      3.5500001E-02
 C    3.572000       1.038700     -0.1474000    
 C    4.738500      9.9100001E-02 -4.5899998E-02
 C   -3.509400      9.2299998E-02  -1.094400    
 C   -3.437800      0.4043000       1.300400    
 C   -4.634900     -0.7197000     -0.9550000    
 C   -4.563300     -0.4079000       1.439700    
 C   -5.161800     -0.9698000      0.3119000    
 C    5.278600     -0.1941000       1.200900    
 C    5.266600     -0.4687000      -1.199500    
 C    6.362400      -1.067300       1.295400    
 C    6.350300      -1.341800      -1.104900    
 C    6.898100      -1.641100      0.1426000    
 C   -6.821000      -2.304900     -0.7466000    
 H  -0.2162000      3.7900001E-02  0.9322000    
 H  -0.2671000     -0.1953000     -0.8336000    
 H    1.220300       1.782000      -1.139600    
 H    1.258200       2.039800      0.6070000    
 H    2.238600     -0.1550000      0.8307000    
 H    3.650700       1.794500      0.6456000    
 H    3.639900       1.587200      -1.096200    
 H   -3.108700      0.2691000      -2.087800    
 H   -2.981500      0.8269000       2.190200    
 H   -5.048500      -1.125300      -1.872100    
 H   -4.968500     -0.6007000       2.429300    
 H    4.868200      0.2455000       2.105800    
 H    4.847100     -0.2443000      -2.176300    
 H    6.788500      -1.300800       2.266600    
 H    6.767400      -1.789200      -2.002400    
 H    7.741600      -2.321200      0.2161000    
 H   -6.119200      -2.977100      -1.251800    
 H   -7.192300      -1.517000      -1.410600    
 H   -7.685800      -2.908600     -0.4523000    


%chk=000049340-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049340

0 1
S -1.577916 1.728317 0.397252
O -1.422935 2.546184 -1.018424
O -1.729188 2.497765 1.838329
O -6.372158 -1.943328 -0.080976
N 2.420494 0.573985 0.444626
C -0.014006 0.584306 0.535218
C 1.236997 1.453162 0.363453
C -3.043833 0.555489 0.215678
C 3.669589 1.135182 -0.124519
C 4.805680 0.118416 -0.097134
C -3.462015 0.209993 -1.077353
C -3.708812 0.127359 1.380996
C -4.583498 -0.636747 -1.220826
C -4.823937 -0.715949 1.236817
C -5.257008 -1.103830 -0.060509
C 6.121367 0.520079 0.242186
C 4.568765 -1.238784 -0.435710
C 7.185249 -0.411677 0.233243
C 5.628684 -2.172034 -0.440607
C 6.941822 -1.761649 -0.108396
C -6.894056 -2.363892 -1.386759
H -0.115264 0.128356 1.533750
H -0.117081 -0.162838 -0.266532
H 1.210252 1.918517 -0.639189
H 1.230421 2.280881 1.109753
H 2.571038 0.203794 1.392651
H 4.001440 2.069315 0.389716
H 3.447742 1.419654 -1.173616
H -2.941141 0.618739 -1.950061
H -3.376927 0.473380 2.365513
H -4.922693 -0.912531 -2.222985
H -5.381370 -1.078609 2.105028
H 6.315173 1.565168 0.515013
H 3.547275 -1.546602 -0.683739
H 8.197840 -0.086351 0.497641
H 5.433242 -3.217862 -0.704556
H 7.764156 -2.485999 -0.112501
H -6.139214 -2.943633 -1.951798
H -7.224275 -1.493128 -1.984675
H -7.757000 -3.004196 -1.154901


