%chk=000125138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125138

0 1
 S    5.644700       1.113200      0.7035000    
 O   -3.715800      0.6710000     -0.8648000    
 O   -5.649600      -1.112900      0.7503000    
 O   -4.829000       3.231300      -1.010900    
 O    3.059400     -0.1695000     -0.3867000    
 N   -1.541300      2.4499999E-02 -0.1709000    
 N   0.3364000       1.217200     -0.3632000    
 N  -0.5977000      -2.210600     -3.6499999E-02
 N    1.838900      -2.156700     -0.1634000    
 N   0.6703000      -4.174700      5.9300002E-02
 C   -2.966500     -0.2695000     -7.5900003E-02
 C   -4.983500      0.1060000       1.072500    
 C   -3.527200     -0.2009000       1.337300    
 C   -4.931800       1.001300     -0.1610000    
 C   -4.886100       2.482000      0.1902000    
 C  -0.5121000     -0.8765000     -0.1493000    
 C  -0.9778000       1.268600     -0.3016000    
 C   0.6411000     -0.1176000     -0.2691000    
 C    1.849900     -0.8064000     -0.2736000    
 C   0.6336000      -2.765900     -5.3399999E-02
 C    4.218400     -0.9933000     -0.3777000    
 C    5.462200     -0.1463000     -0.5961000    
 C    7.171600       1.876800      0.1115000    
 C    7.592000       3.008700       1.029600    
 H   -3.121900      -1.259600     -0.5209000    
 H   -5.499500      0.5511000       1.927200    
 H   -3.359800      -1.134300       1.883500    
 H   -3.067400      0.6198000       1.900600    
 H   -5.761100      0.8061000     -0.8503000    
 H   -3.994800       2.725900      0.7771000    
 H   -5.779400       2.779800      0.7479000    
 H   -5.301000      -1.450500     -9.1600001E-02
 H   -1.568400       2.173700     -0.3416000    
 H   -4.802200       4.170800     -0.7618000    
 H    4.158100      -1.728300      -1.190400    
 H    4.291500      -1.530700      0.5768000    
 H    5.386000      0.3737000      -1.556800    
 H    6.349700     -0.7864000     -0.6080000    
 H  -0.1957000      -4.688600      0.1452000    
 H    1.562000      -4.650100      5.3500000E-02
 H    7.963600       1.122200      7.4299999E-02
 H    7.014500       2.264900     -0.8999000    
 H    6.831600       3.796000       1.072400    
 H    7.781900       2.652000       2.047700    
 H    8.517600       3.463300      0.6610000    


%chk=000125138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125138

0 1
S 5.307368 2.148437 -0.532990
O -4.152741 0.267843 -0.902913
O -5.913112 -0.744844 1.349021
O -3.750563 3.148447 -0.624565
O 2.802389 0.137266 -1.336659
N -1.803327 -0.209766 -0.733879
N -0.129422 1.043847 -1.689662
N -0.455647 -2.016955 0.283670
N 1.951740 -1.704759 -0.124769
N 1.144042 -3.539706 1.082726
C -3.168180 -0.696081 -0.404917
C -4.671889 0.037977 1.397181
C -3.413137 -0.833669 1.128219
C -4.627762 1.082885 0.258474
C -3.731058 2.288381 0.563235
C -0.610949 -0.865331 -0.427076
C -1.454565 0.922231 -1.509218
C 0.419347 -0.069727 -1.020791
C 1.739149 -0.559476 -0.818787
C 0.861648 -2.381199 0.391092
C 4.160098 -0.422111 -1.112105
C 5.144766 0.619505 -1.632766
C 6.564795 1.472883 0.720936
C 6.843159 2.546562 1.783225
H -3.335117 -1.638536 -0.954021
H -4.676224 0.484090 2.403963
H -3.593983 -1.876892 1.427204
H -2.538760 -0.467362 1.690425
H -5.633136 1.432578 -0.026224
H -2.698207 1.964795 0.808691
H -4.157076 2.816491 1.443961
H -6.028318 -1.090253 0.425479
H -2.219038 1.602914 -1.877789
H -3.149385 3.922509 -0.484082
H 4.240864 -1.372685 -1.675371
H 4.295431 -0.642406 -0.038526
H 4.822507 0.989947 -2.619633
H 6.149623 0.172198 -1.736476
H 0.380216 -4.082893 1.473969
H 2.110153 -3.838920 1.171801
H 6.142816 0.562441 1.182991
H 7.485262 1.204858 0.171702
H 7.252404 3.464361 1.324694
H 5.920189 2.816349 2.326574
H 7.579035 2.174376 2.519985


