%chk=000004203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004203

1 1
 S    3.801200     -6.8599999E-02  0.5552000    
 O    2.897700      0.1771000     -0.7977000    
 O    5.331500     -0.1007000     -8.2999999E-03
 O    3.494900      -1.396100       1.055100    
 O    3.672600       1.083400       1.428300    
 N   -2.528400     -2.4200000E-02  4.8000002E-03
 N  -0.4923000       1.234900     -6.6600002E-02
 N    1.535900      0.1043000     -0.5996000    
 N    1.627800      -2.231600      -1.066600    
 N    1.554400       2.410500     -0.1562000    
 C   -5.371300     -3.4100000E-02  0.5023000    
 C   -4.515000      -1.267100      0.7633000    
 C   -4.764800      0.7987000     -0.6205000    
 C   -3.063700     -0.8925000       1.059800    
 C   -3.316300       1.174400     -0.3164000    
 C   -1.144100      4.0600002E-02 -0.1971000    
 C  -0.4641000      -1.138900     -0.5308000    
 C   0.9058000      -1.071100     -0.7297000    
 C   0.8382000       1.201100     -0.2793000    
 H   -6.389100     -0.3374000      0.2332000    
 H   -5.442900      0.5689000       1.415500    
 H   -4.928700      -1.836000       1.603600    
 H   -4.548500      -1.922500     -0.1163000    
 H   -4.804500      0.2268000      -1.556300    
 H   -5.358400       1.706900     -0.7733000    
 H   -2.999700     -0.3701000       2.022600    
 H   -2.484200      -1.817400       1.157900    
 H   -2.905700       1.684400      -1.197000    
 H   -3.275900       1.877800      0.5245000    
 H  -0.9921000      -2.081000     -0.6455000    
 H    1.370600      -2.629400      -1.965800    
 H    1.628600      -2.940700     -0.3387000    
 H    1.054200       3.255900      8.2300000E-02
 H    2.550700       2.432500     -0.3242000    
 H    5.474600     -0.6599000     -0.8077000    


%chk=000004203-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004203

1 1
S 4.091952 -0.074346 0.319740
O 2.599932 -0.593868 -1.454760
O 4.223980 1.634874 -0.481230
O 5.582493 -0.529384 0.762602
O 2.908984 0.055239 1.432210
N -2.449976 -0.056779 0.610245
N -0.493673 0.881685 -0.248375
N 1.375799 -0.499785 -0.917545
N 1.399247 -2.830380 -0.704549
N 1.479480 1.859327 -1.074869
C -5.329958 0.288098 0.178467
C -4.660687 -1.102768 0.124649
C -4.317344 1.398804 -0.177235
C -3.386388 -1.139013 1.010835
C -3.048044 1.305627 0.709323
C -1.187084 -0.253326 0.120279
C -0.593700 -1.560339 0.003867
C 0.702001 -1.681033 -0.513047
C 0.745991 0.785785 -0.722668
H -6.188411 0.319796 -0.516154
H -5.736610 0.465390 1.194173
H -5.351050 -1.886535 0.485893
H -4.387827 -1.358068 -0.917219
H -4.021862 1.325008 -1.241123
H -4.763456 2.398908 -0.030011
H -3.666997 -0.957356 2.066701
H -2.899697 -2.122486 0.958634
H -2.286576 2.040106 0.417573
H -3.320901 1.467189 1.770994
H -1.113655 -2.469374 0.304093
H 1.012283 -3.732183 -0.435836
H 2.322932 -2.789700 -1.139894
H 1.052497 2.776227 -0.935638
H 2.499076 1.806210 -1.246220
H 5.156249 1.987351 -0.399107


