%chk=000128039.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128039

0 1
 S   -1.139300      -1.971900     -0.9472000    
 O   -2.796800      0.9783000      0.4736000    
 O   -2.642300       1.304400      -1.799900    
 N    3.238300      5.2700002E-02 -1.9400001E-02
 N    3.397000      -1.275100     -0.1667000    
 N    1.499100       1.732800     -6.8599999E-02
 C    1.205000     -0.6722000     -0.4227000    
 C    1.947700      0.4689000     -0.1628000    
 C  -0.1747000     -0.5276000     -0.6141000    
 C    4.388000      0.8800000      0.2612000    
 C  -0.6994000      0.7621000     -0.5287000    
 C    2.157000      -1.711000     -0.4118000    
 C   0.1607000       1.821900     -0.2612000    
 C    4.635900       1.033300       1.752000    
 C   -2.117400       1.042500     -0.7112000    
 C   -1.613400      -2.509400      0.7235000    
 C   -2.465000      -3.762900      0.6585000    
 C   -4.204400       1.234800      0.4243000    
 C   -4.776100       1.118600       1.821200    
 H    5.257300      0.4254000     -0.2274000    
 H    4.225400       1.858500     -0.2033000    
 H    2.006100      -2.769500     -0.5708000    
 H  -0.2234000       2.837100     -0.1897000    
 H    3.777700       1.497700       2.249400    
 H    5.514200       1.661700       1.928500    
 H    4.809900      6.1099999E-02   2.225100    
 H  -0.7094000      -2.705800       1.308800    
 H   -2.171700      -1.708700       1.218100    
 H   -3.390900      -3.590800      9.9100001E-02
 H   -1.924100      -4.592600      0.1908000    
 H   -2.743300      -4.077500       1.669800    
 H   -4.376900       2.244000      3.4699999E-02
 H   -4.683900      0.5031000     -0.2352000    
 H   -5.853100       1.308200       1.820300    
 H   -4.592800      0.1194000       2.230100    
 H   -4.291700       1.831800       2.496300    


%chk=000128039-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128039

0 1
S -1.236287 -1.834889 -0.445001
O -2.976384 0.613991 0.271637
O -2.356461 2.641918 -0.675583
N 3.384878 0.140025 -0.127315
N 3.416237 -1.259964 -0.206458
N 1.690905 1.915148 -0.064271
C 1.222343 -0.537014 -0.208978
C 2.086737 0.613516 -0.123251
C -0.183672 -0.335812 -0.222131
C 4.632111 0.912596 -0.029607
C -0.627197 1.015438 -0.163670
C 2.117631 -1.660099 -0.259378
C 0.349568 2.078640 -0.093513
C 5.325944 0.732508 1.334339
C -2.036217 1.506993 -0.234923
C -1.846820 -2.102668 1.348107
C -2.758793 -3.335998 1.368375
C -4.404536 1.051872 0.154550
C -5.264411 -0.074750 0.717419
H 5.297208 0.587978 -0.848964
H 4.353964 1.966994 -0.197512
H 1.875343 -2.717537 -0.335295
H -0.020556 3.108501 -0.074223
H 4.681943 1.092283 2.155557
H 6.267966 1.309230 1.354088
H 5.562071 -0.330684 1.509963
H -0.952486 -2.241826 1.977534
H -2.379753 -1.184942 1.635878
H -3.643709 -3.189223 0.723823
H -2.227322 -4.241979 1.026275
H -3.113895 -3.519363 2.399482
H -4.521742 1.997627 0.713603
H -4.614059 1.254194 -0.910985
H -6.331808 0.202652 0.644899
H -5.109716 -1.008735 0.150585
H -5.029726 -0.263320 1.779543


