%chk=000009047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009047

0 1
 S   0.2332000      -2.296700      0.2862000    
 O   0.8320000      -3.092900       1.351000    
 O  -7.7000000E-02  -2.942000     -0.9837000    
 O   -1.207300       1.129600       1.833600    
 N   -1.185300      -1.546000      0.9129000    
 N   -2.318300     -0.8144000      -1.022900    
 N    3.820300       2.329700     -0.7555000    
 N   -2.322000       1.824500     -7.2800003E-02
 C    1.287000     -0.9386000     -1.9600000E-02
 C    2.153000     -0.4896000      0.9773000    
 C    1.261900     -0.3018000      -1.260400    
 C   -1.774100     -0.4738000      0.1566000    
 C    2.969100       1.232900     -0.5075000    
 C    2.993900      0.5963000      0.7334000    
 C    2.102900      0.7839000      -1.504400    
 C   -1.771400      0.8142000      0.6291000    
 C   -2.868700      0.1961000      -1.724900    
 C   -2.870400       1.492100      -1.258300    
 C   -1.258700       2.496400       2.229900    
 H   -1.175900      -1.381400       1.928600    
 H    2.183900     -0.9645000       1.953800    
 H   0.5954000     -0.6334000      -2.051500    
 H    3.663100      0.9382000       1.518900    
 H    2.073700       1.271800      -2.475300    
 H    4.447000       2.657600     -3.2600001E-02
 H    3.800600       2.792700      -1.654400    
 H   -3.308900     -7.0200004E-02  -2.677800    
 H   -3.312300       2.303600      -1.823100    
 H   -2.294500       2.834900       2.338500    
 H  -0.7123000       3.129800       1.523100    
 H  -0.7713000       2.581700       3.205600    


%chk=000009047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000009047

0 1
S 0.514213 -1.556019 0.707190
O 1.068013 -2.127023 2.127672
O -0.270583 -2.517359 -0.334006
O -2.773477 0.974347 2.520863
N -0.627372 -0.206197 1.331670
N -1.332331 0.569685 -0.808865
N 5.105592 1.185409 -2.109617
N -3.560631 1.818965 0.437533
C 1.897289 -0.667042 -0.161144
C 3.056567 -0.380490 0.582521
C 1.764551 -0.363887 -1.527928
C -1.527531 0.471884 0.530079
C 4.041344 0.571210 -1.461731
C 4.131328 0.242258 -0.073797
C 2.844256 0.255828 -2.177260
C -2.666927 1.119407 1.145175
C -2.255429 1.286970 -1.529382
C -3.360248 1.907052 -0.922438
C -3.945804 1.608455 3.163816
H -0.853877 -0.347836 2.324750
H 3.116924 -0.659621 1.639238
H 0.834668 -0.597968 -2.053406
H 5.047291 0.472217 0.482281
H 2.766613 0.502192 -3.242314
H 5.962385 1.408861 -1.611303
H 5.052253 1.416274 -3.097650
H -2.090103 1.346753 -2.608718
H -4.101312 2.468596 -1.496757
H -4.880030 1.197149 2.746002
H -3.926893 2.699166 3.001396
H -3.842141 1.361465 4.229931


