%chk=000087259.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087259

0 1
 S   0.2963000     -0.8883000       1.236200    
 S   0.7821000      -1.246000      -2.228000    
 P    1.393300     -0.4470000     -0.5411000    
 O    1.519800       1.180500     -0.6421000    
 O    2.965000     -0.7815000     -0.2366000    
 N   -1.498600      0.8235000      0.2474000    
 N   -2.253000      -1.428800      0.6537000    
 C    1.991100       1.933100      0.4635000    
 C    3.398800       1.477300      0.8160000    
 C    1.944500       3.413600      0.1179000    
 C    3.390800      -2.122600     -5.9200000E-02
 C   -1.328200     -0.4502000      0.6490000    
 C   -2.739500       1.120400     -0.1917000    
 C   -3.470500      -1.062800      0.2022000    
 C   -3.774800      0.2095000     -0.2371000    
 C    4.881100      -2.135700      0.2065000    
 C   -2.972300       2.521900     -0.6467000    
 C   -4.526000      -2.117000      0.1901000    
 H    1.329100       1.779600       1.321000    
 H    3.896400       2.244600       1.422400    
 H    3.393100      0.5897000       1.454800    
 H    4.023700       1.318000     -6.8499997E-02
 H    2.578200       3.631700     -0.7488000    
 H   0.9255000       3.708500     -0.1556000    
 H    2.273100       4.032600      0.9583000    
 H    3.174600      -2.703900     -0.9597000    
 H    2.856500      -2.567700      0.7850000    
 H   -4.762000      0.4755000     -0.5948000    
 H    5.244700      -3.157700      0.3448000    
 H    5.424900      -1.676000     -0.6254000    
 H    5.118200      -1.552300       1.102300    
 H   -3.750200       2.995400     -3.9500002E-02
 H   -3.280000       2.535100      -1.697100    
 H   -2.060400       3.121300     -0.5549000    
 H   -5.366200      -1.822200      0.8269000    
 H   -4.889600      -2.280200     -0.8294000    
 H   -4.135800      -3.068800      0.5655000    


%chk=000087259-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087259

0 1
S 0.440452 -1.135611 1.049385
S 1.043560 -0.773127 -2.704723
P 1.644892 -0.284326 -0.798312
O 1.942324 1.383289 -0.549837
O 3.166338 -0.961670 -0.269922
N -1.281109 0.498424 -0.290714
N -2.267710 -1.263888 1.071194
C 1.822644 2.051512 0.796476
C 3.118436 1.851990 1.591621
C 1.508963 3.510850 0.456995
C 3.552302 -2.315696 -0.763590
C -1.226160 -0.567911 0.550499
C -2.529530 0.888399 -0.705355
C -3.521649 -0.850888 0.692383
C -3.683364 0.222113 -0.221441
C 4.967562 -2.562220 -0.248839
C -2.583226 2.038280 -1.678129
C -4.686307 -1.603186 1.285921
H 0.966511 1.583909 1.321582
H 3.038584 2.362093 2.569902
H 3.316188 0.780932 1.767591
H 3.976131 2.277612 1.042014
H 2.335418 3.960300 -0.120390
H 0.584977 3.573352 -0.141802
H 1.373811 4.091793 1.388012
H 3.503065 -2.321051 -1.868636
H 2.834685 -3.060895 -0.368717
H -4.680542 0.530846 -0.545189
H 5.316653 -3.557428 -0.581602
H 5.660915 -1.798176 -0.638924
H 4.996028 -2.533199 0.853647
H -3.611046 2.237425 -2.022058
H -1.941192 1.816832 -2.549082
H -2.179427 2.954878 -1.210261
H -4.668954 -1.520973 2.387632
H -5.651700 -1.223372 0.914062
H -4.604821 -2.678112 1.045906


