%chk=000163977.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163977

0 1
 S    4.239600      -1.684100     -0.5970000    
 O   -3.970700      0.6508000      -1.069400    
 N   -1.456300       2.005400     -0.2188000    
 N  -0.8118000      -1.313100      0.6078000    
 N   0.3604000       3.399200      0.3258000    
 N   -3.036800      -1.326800     -0.3386000    
 N   -1.993500      -3.278700      0.4320000    
 C   0.2787000      0.9326000      0.6989000    
 C  -0.7465000      1.5300000E-02  0.4144000    
 C    1.592200      0.6416000       1.307000    
 C   -1.806200      0.6828000     -0.1486000    
 C  -0.1893000       2.167400      0.2944000    
 C    2.584500     -3.1900000E-02  0.3703000    
 C   -3.031200      4.6200000E-02 -0.5655000    
 C   -1.996800      -1.923200      0.2046000    
 C    2.942600      0.5164000     -0.8702000    
 C    3.188800      -1.208000      0.6684000    
 C    3.852300     -0.2918000      -1.515400    
 H    1.440600      1.0700000E-02   2.193500    
 H    2.058400       1.562300       1.681800    
 H   -2.033800       2.748100     -0.5882000    
 H  -6.3900001E-02  -1.863200       1.017900    
 H  -0.1270000       4.221200     -1.7600000E-02
 H    1.292900       3.565000      0.6911000    
 H    2.576900       1.445000      -1.289100    
 H    3.081700      -1.823900       1.550500    
 H    4.308900     -0.1307000      -2.481800    
 H   -1.194700      -3.743600      0.8493000    
 H   -2.792500      -3.853200      0.1868000    


%chk=000163977-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163977

0 1
S 3.884735 -2.301186 -0.051948
O -4.093435 0.601738 -0.778604
N -1.649401 2.176719 0.097379
N -0.506417 -1.197568 0.304987
N 0.091556 3.746737 0.747919
N -2.808161 -1.365641 -0.442492
N -1.515376 -3.291772 -0.148312
C 0.349101 1.223010 0.685183
C -0.598454 0.199278 0.345388
C 1.783906 1.060563 1.139335
C -1.816702 0.789823 -0.026778
C -0.352460 2.446168 0.519518
C 2.512271 -0.076703 0.434340
C -2.993947 0.049096 -0.444526
C -1.642290 -1.911425 -0.102900
C 2.658822 -0.164607 -1.007158
C 3.103460 -1.149595 1.088024
C 3.360543 -1.276638 -1.433685
H 1.841615 0.891614 2.234295
H 2.333722 2.005878 0.946102
H -2.411633 2.836894 -0.049645
H 0.390385 -1.652898 0.485750
H -0.311495 4.538485 0.255317
H 0.928464 3.904616 1.298870
H 2.236413 0.576651 -1.690535
H 3.170512 -1.340530 2.158763
H 3.612249 -1.586235 -2.446272
H -0.672488 -3.787871 0.126411
H -2.337996 -3.806799 -0.450425


