%chk=000121834.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121834

0 1
 S   -4.491400      0.1048000     -0.4968000    
 O   -5.007100     -0.8245000      0.7417000    
 O   -5.326300       1.292800     -0.5212000    
 O   -4.347700     -0.7355000      -1.671400    
 O    5.955300     -0.5603000      -1.054100    
 N    1.873800     -0.2565000      0.8056000    
 N    4.580200      0.6714000      0.3654000    
 C  -0.5091000      0.2003000      0.3860000    
 C   -1.783500     -0.2835000      5.5999998E-03
 C   0.5776000     -0.6881000      0.4307000    
 C   -2.870000      0.6052000     -3.9200000E-02
 C    2.993800      -1.138700      0.8602000    
 C  -0.3588000       1.558600      0.7102000    
 C   -1.933600      -1.641600     -0.3188000    
 C   0.4102000      -2.034500      0.1054000    
 C   -2.702700       1.951600      0.2866000    
 C    4.243800     -0.3833000       1.283900    
 C  -0.8430000      -2.510300     -0.2687000    
 C   -1.449300       2.427400      0.6603000    
 C    5.411700      0.4927000     -0.7315000    
 C    5.576200       1.751700      -1.539800    
 H    2.820100      -1.940600       1.587500    
 H    3.175800      -1.592500     -0.1219000    
 H    2.020400      0.7154000       1.039700    
 H   0.5898000       1.992900       1.009200    
 H   -2.881100      -2.100600     -0.5711000    
 H    1.221700      -2.754900      0.1306000    
 H    4.101000      7.9999998E-02   2.266600    
 H    5.088800      -1.076700       1.356600    
 H   -3.523600       2.661800      0.2647000    
 H  -0.9748000      -3.561000     -0.5110000    
 H   -1.319900       3.475600      0.9144000    
 H    4.170800       1.586900      0.5282000    
 H   -5.068100     -0.3706000       1.615000    
 H    6.403300       1.631300      -2.244800    
 H    4.655200       1.950400      -2.094700    
 H    5.796500       2.598700     -0.8839000    


%chk=000121834-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121834

0 1
S -4.597263 0.218107 -0.452545
O -5.002002 -0.573777 1.184710
O -5.462716 1.578100 -0.606026
O -4.736267 -0.924507 -1.591848
O 5.487175 -0.476482 -1.301691
N 1.937819 -0.325438 0.696107
N 4.662212 0.762155 0.477845
C -0.458906 0.159863 0.368819
C -1.796391 -0.334593 0.058092
C 0.646721 -0.788209 0.436498
C -2.815400 0.669240 -0.024251
C 3.108747 -1.208079 0.748088
C -0.270971 1.556066 0.613183
C -2.018275 -1.734681 -0.129053
C 0.378457 -2.161738 0.256038
C -2.627649 2.030014 0.189229
C 4.341432 -0.441208 1.273700
C -0.940042 -2.615367 -0.013914
C -1.318899 2.477697 0.523567
C 5.267410 0.653765 -0.773573
C 5.633394 1.969773 -1.452669
H 2.910584 -2.045568 1.444042
H 3.347041 -1.641459 -0.245235
H 2.154544 0.643715 0.457537
H 0.715331 1.929712 0.909686
H -3.015295 -2.106662 -0.372283
H 1.192170 -2.890514 0.292166
H 4.168491 -0.121234 2.316393
H 5.205569 -1.130094 1.247764
H -3.469710 2.724225 0.105531
H -1.106016 -3.688801 -0.156529
H -1.145614 3.539522 0.721631
H 4.614499 1.678245 0.925743
H -5.924008 -0.956827 1.102798
H 6.715913 1.974722 -1.666826
H 5.111205 2.032893 -2.422788
H 5.382710 2.863224 -0.854738


