%chk=000226589.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226589

0 1
 S    1.151900     -0.1687000      0.9299000    
 O    1.073300      -1.460100       1.596400    
 O    1.071400       1.052700       1.717000    
 O   -4.223800      -1.278700      0.5768000    
 O   -4.841300      0.7734000     -0.1686000    
 N    2.575900     -0.1215000     -3.5500001E-02
 N   -2.543800       1.203900      -1.428400    
 C  -0.1154000     -0.1110000     -0.2980000    
 C   -1.501700     -0.1424000      0.3363000    
 C   -2.619600     -6.6600002E-02 -0.7120000    
 C    2.779900      -1.213000      -1.020400    
 C    3.010200       1.196600     -0.5617000    
 C    4.258400      -1.458200      -1.269800    
 C    3.925200       1.906000      0.4221000    
 C   -4.000400     -0.1122000     -8.4200002E-02
 H   3.1900000E-02  0.8057000     -0.8750000    
 H   8.2999999E-03 -0.9755000     -0.9565000    
 H   -1.607400      0.6783000       1.058400    
 H   -1.612000      -1.064200      0.9215000    
 H   -2.540700     -0.8880000      -1.432500    
 H    2.343100      -2.141000     -0.6359000    
 H    2.273800     -0.9713000      -1.961600    
 H    3.513200       1.111800      -1.529300    
 H    2.132400       1.824000     -0.7535000    
 H    4.747900     -0.6197000      -1.772200    
 H    4.787800      -1.638800     -0.3281000    
 H    4.388500      -2.339700      -1.906000    
 H    3.434100       2.084200       1.382600    
 H    4.823000       1.309000      0.6139000    
 H    4.238800       2.873700      1.8400000E-02
 H   -2.652900       1.982900     -0.7803000    
 H   -3.305500       1.273000      -2.101900    
 H   -5.121300      -1.308700      0.9715000    


%chk=000226589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226589

0 1
S 1.100206 -0.673352 0.933618
O 1.305607 -2.209102 1.427436
O 0.777555 0.530614 1.982322
O -4.654302 -0.949892 0.310855
O -4.621430 1.376360 0.271985
N 2.705783 -0.179221 0.069835
N -2.271946 1.324326 -1.406830
C -0.357563 -0.674466 -0.383603
C -1.679063 -0.375752 0.317170
C -2.732750 0.105500 -0.734051
C 3.115217 -1.220431 -0.912672
C 2.668135 1.241638 -0.385550
C 4.638353 -1.183699 -1.148537
C 3.904549 2.018967 0.110106
C -4.084809 0.285484 -0.014914
H -0.101746 0.128558 -1.095738
H -0.280766 -1.678558 -0.828722
H -1.525108 0.427654 1.064807
H -2.063409 -1.264860 0.844524
H -2.867476 -0.693608 -1.486428
H 2.842513 -2.198918 -0.475850
H 2.583907 -1.105362 -1.887194
H 2.582369 1.288791 -1.493571
H 1.770406 1.725869 0.046368
H 4.954379 -0.254199 -1.653148
H 5.173468 -1.262294 -0.187321
H 4.932612 -2.035116 -1.789549
H 3.937003 2.000199 1.212031
H 4.842099 1.580228 -0.269370
H 3.848989 3.071550 -0.226556
H -2.301861 2.146995 -0.791813
H -2.750657 1.515406 -2.293065
H -5.507061 -0.813409 0.806823


