%chk=000130828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130828

0 1
 S    1.476200      0.4747000       1.886000    
 O    1.422200       3.009600      0.3868000    
 O  -0.5901000       4.016100      -1.167000    
 N   -2.874900      -2.295400      1.6500000E-02
 C   -1.277400     -0.9768000       1.443500    
 C   -1.487900      -2.157700      0.4895000    
 C   -3.437000      0.1413000     -0.2537000    
 C   -3.276500      -1.230900     -0.9172000    
 C   -1.108200      0.3424000      0.7345000    
 C   -2.132100      0.8729000     -6.9200002E-02
 C   8.6800002E-02   1.063500      0.8900000    
 C   -1.939000       2.113400     -0.6989000    
 C   -3.043400      -3.602400     -0.6300000    
 C   0.2674000       2.291600      0.2547000    
 C  -0.7457000       2.816700     -0.5395000    
 C    2.392500     -0.4345000      0.6573000    
 C    3.372300      0.2080000     -9.9900000E-02
 C    2.130300      -1.789100      0.4525000    
 C    4.089600     -0.5039000      -1.061300    
 C    2.847600      -2.501200     -0.5089000    
 C    3.827300      -1.858400      -1.265800    
 H  -0.4491000      -1.228100       2.107800    
 H   -2.133000     -0.8903000       2.128200    
 H  -0.7869000      -2.115200     -0.3541000    
 H   -1.236700      -3.059900       1.063400    
 H   -3.953100      5.7900000E-02  0.7114000    
 H   -4.101100      0.7431000     -0.8878000    
 H   -4.265800      -1.489000      -1.318500    
 H   -2.594100      -1.175400      -1.776000    
 H   -2.729300       2.530000      -1.319900    
 H   -2.809000      -4.413400      6.8700001E-02
 H   -2.403800      -3.710400      -1.513600    
 H   -4.085000      -3.752100     -0.9356000    
 H    1.983700       2.566800       1.045500    
 H   -1.396100       4.217900      -1.672400    
 H    3.602000       1.259800      4.6999998E-02
 H    1.390000      -2.318400       1.044500    
 H    4.854100     -4.1999999E-03  -1.649100    
 H    2.647000      -3.557200     -0.6646000    
 H    4.386800      -2.413200      -2.013200    


%chk=000130828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130828

0 1
S 1.424301 0.339814 2.016565
O 1.477999 3.055546 0.687200
O -0.459370 4.275404 -0.766926
N -2.957226 -2.206712 -0.366802
C -1.404779 -1.053978 1.289906
C -1.589518 -2.150530 0.207930
C -3.471555 0.283847 -0.334740
C -3.338415 -1.018593 -1.167902
C -1.155513 0.342782 0.747719
C -2.158103 0.987079 -0.029546
C 0.062371 1.042547 0.978670
C -1.926555 2.290238 -0.531015
C -3.169057 -3.457890 -1.126448
C 0.295257 2.354834 0.477038
C -0.723715 2.983014 -0.288664
C 2.412494 -0.638859 0.779344
C 2.211724 -0.532379 -0.613617
C 3.408091 -1.497329 1.302564
C 3.019634 -1.293384 -1.489601
C 4.212518 -2.249843 0.417183
C 4.021490 -2.151708 -0.981048
H -0.560174 -1.347929 1.936044
H -2.316597 -1.063742 1.919633
H -0.806114 -2.023159 -0.582999
H -1.408072 -3.132047 0.685478
H -4.005797 0.018862 0.599419
H -4.125930 0.978378 -0.894518
H -4.326499 -1.241516 -1.614578
H -2.626995 -0.839343 -2.015886
H -2.710102 2.778967 -1.126503
H -2.970392 -4.326497 -0.473164
H -2.513559 -3.550985 -2.029294
H -4.220154 -3.515905 -1.462462
H 2.066904 2.493409 1.271335
H -1.239569 4.618587 -1.270252
H 1.441460 0.136392 -1.011639
H 3.554355 -1.581139 2.385409
H 2.866067 -1.207287 -2.571115
H 4.983760 -2.913537 0.823574
H 4.645932 -2.736811 -1.664694


