%chk=000039678.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039678

0 1
 S   -1.610300       2.724600       1.051300    
 O    1.255000      -1.162300     -0.2153000    
 O    1.030400       1.565000      0.6250000    
 O    1.210200       2.238700      -1.582300    
 O   -4.827400      -2.084400     -0.2607000    
 N  -0.6805000       2.859100     -0.3835000    
 C    1.806400      -2.499700     -0.3892000    
 C    3.343800      -2.391500     -0.5194000    
 C    3.548800      -1.012500     -2.2000000E-02
 C    2.327700     -0.3724000      0.1042000    
 C    1.400400      -3.332800      0.8332000    
 C    1.184900      -3.094000      -1.654000    
 C    4.730000     -0.3481000      0.2557000    
 C    2.231400      0.9454000      0.5084000    
 C    4.657000      0.9827000      0.6746000    
 C    3.414900       1.625900      0.7994000    
 C   0.5612000       2.229800     -0.5364000    
 C   -1.300000       3.584500      -1.483500    
 C   -2.579900       1.275400      0.6550000    
 C   -2.101700      1.1600000E-02  0.9887000    
 C   -3.807900       1.418300      1.5699999E-02
 C   -4.089300     -0.9812000      3.9600000E-02
 C   -2.858000      -1.119200      0.6803000    
 C   -4.564300      0.2876000     -0.2927000    
 C   -4.282400      -3.350500      0.1079000    
 H    3.676500      -2.461100      -1.560800    
 H    3.872200      -3.139000      7.9899997E-02
 H    1.802300      -2.900600       1.756600    
 H   0.3105000      -3.347100      0.9483000    
 H    1.755700      -4.365100      0.7512000    
 H    1.404000      -2.468000      -2.526500    
 H    1.556500      -4.105300      -1.847800    
 H   9.2699997E-02  -3.133000      -1.570300    
 H    5.690400     -0.8405000      0.1481000    
 H    5.569300       1.527900      0.9011000    
 H    3.383300       2.663000       1.123900    
 H   -1.758200       4.508500      -1.117600    
 H   -2.057500       2.949000      -1.951500    
 H  -0.5536000       3.842000      -2.240600    
 H   -1.146500     -0.1154000       1.491600    
 H   -4.194600       2.399000     -0.2496000    
 H   -2.429200      -2.073500      0.9664000    
 H   -5.522900      0.4012000     -0.7915000    
 H   -4.173900      -3.441000       1.194000    
 H   -3.345300      -3.554700     -0.4212000    
 H   -5.000200      -4.115300     -0.2065000    


%chk=000039678-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039678

0 1
S -1.478907 2.228435 1.532111
O 1.285458 -1.358660 0.277094
O 0.980170 1.467505 0.211652
O 1.074627 3.177465 -1.425232
O -5.013129 -1.925103 -1.113560
N -0.696263 3.040912 0.103889
C 1.905768 -2.742498 0.535128
C 3.341572 -2.650866 -0.086057
C 3.578788 -1.153500 -0.221122
C 2.348642 -0.491469 -0.016998
C 1.945699 -2.912740 2.063665
C 0.988239 -3.756677 -0.154038
C 4.735004 -0.418173 -0.535066
C 2.243593 0.910733 -0.111936
C 4.635680 0.992829 -0.637106
C 3.403963 1.656227 -0.426834
C 0.498499 2.621866 -0.456192
C -1.434229 4.157163 -0.517169
C -2.515226 0.948592 0.700450
C -1.933855 -0.267731 0.274106
C -3.903981 1.178371 0.522275
C -4.124750 -1.020044 -0.519859
C -2.735708 -1.253093 -0.343978
C -4.709798 0.196134 -0.080670
C -4.468232 -3.195527 -1.600792
H 3.375809 -3.148139 -1.074928
H 4.084363 -3.146131 0.564289
H 2.595467 -2.147146 2.523235
H 0.932903 -2.807369 2.488838
H 2.338841 -3.911200 2.331023
H 0.912749 -3.540728 -1.233764
H 1.387153 -4.779740 -0.027440
H -0.025044 -3.724706 0.284600
H 5.693592 -0.921508 -0.700679
H 5.522708 1.586224 -0.881319
H 3.335930 2.741917 -0.520704
H -1.636407 4.942291 0.231594
H -2.393259 3.799042 -0.934777
H -0.817942 4.572870 -1.329839
H -0.862811 -0.448116 0.414302
H -4.347946 2.120495 0.860734
H -2.268014 -2.183947 -0.679092
H -5.783481 0.347123 -0.226191
H -4.033454 -3.789827 -0.773848
H -3.702536 -3.030420 -2.383163
H -5.328343 -3.730136 -2.029434


