%chk=000130879.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130879

0 1
 S  -0.9846000       2.828900      0.9633000    
 O   0.8393000      -1.641000       2.065700    
 O   -1.348900      -1.653200      -1.994400    
 O   0.2303000       3.619800       1.024300    
 O   -2.183800       3.299600       1.631400    
 N   -1.098300      -1.659400      0.8271000    
 N   -2.160600      0.5104000      -1.844900    
 N  -0.6576000       1.258700       1.506900    
 C   -2.227000      -1.025900      0.1357000    
 C   -3.357500      -2.061100      0.2169000    
 C   -1.411900      -3.038800       1.178400    
 C   -2.629100      -3.393400      0.3442000    
 C   0.3385000      0.3809000      0.8616000    
 C   5.1300000E-02  -1.049600       1.320500    
 C   -1.864500     -0.7529000      -1.321600    
 C   -2.566500       1.701600      -1.072700    
 C    1.746400      0.8103000       1.261900    
 C   -1.378700       2.613400     -0.7685000    
 C   -1.923300      0.7430000      -3.268900    
 C    2.792600      0.2612000      0.3424000    
 C    3.376500     -0.9724000      0.6168000    
 C    3.176000      0.9874000     -0.7816000    
 C    4.351600      -1.483800     -0.2395000    
 C    4.151000      0.4760000      -1.638100    
 C    4.738800     -0.7597000      -1.367000    
 H   -2.525100     -0.1454000      0.6883000    
 H   -4.037100      -2.038100     -0.6405000    
 H   -3.950300      -1.887200       1.123600    
 H   -1.640000      -3.067500       2.250000    
 H  -0.5543000      -3.690300      0.9852000    
 H   -3.243300      -4.170900      0.8072000    
 H   -2.320500      -3.750700     -0.6449000    
 H   0.2273000      0.4167000     -0.2240000    
 H   -3.126300       1.433200     -0.1779000    
 H   -3.280000       2.247100      -1.703300    
 H    1.974600      0.5284000       2.298900    
 H    1.852800       1.898900       1.260400    
 H   -1.353600      0.7976000       2.105400    
 H  -0.4580000       2.307800      -1.274600    
 H   -1.612600       3.626100      -1.119700    
 H   -1.069200       1.415800      -3.385100    
 H   -2.814200       1.201200      -3.708300    
 H   -1.712400     -0.1861000      -3.804700    
 H    3.129100      -1.538900       1.507200    
 H    2.722800       1.949500      -1.004900    
 H    4.816700      -2.441200     -2.3300000E-02
 H    4.452300       1.039600      -2.516200    
 H    5.499500      -1.156900      -2.032600    


%chk=000130879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130879

0 1
S -0.847818 2.912642 0.835162
O 0.728984 -1.883675 2.147008
O -1.573550 -1.921640 -1.945824
O 0.571544 3.721871 0.855681
O -2.165815 3.547876 1.544725
N -1.251432 -1.733962 0.971493
N -2.025637 0.359051 -1.897279
N -0.793760 1.144894 1.504563
C -2.323739 -1.040636 0.205390
C -3.534903 -2.005901 0.362196
C -1.589954 -3.155603 1.275341
C -2.887383 -3.409516 0.477281
C 0.298494 0.265873 1.000395
C -0.068630 -1.204780 1.425861
C -1.937005 -0.898471 -1.286593
C -2.429320 1.629704 -1.265151
C 1.738507 0.646143 1.464222
C -1.243808 2.592562 -1.040117
C -1.713263 0.451134 -3.342061
C 2.795529 0.295739 0.424082
C 3.324206 -1.017252 0.319912
C 3.245448 1.289869 -0.485692
C 4.281274 -1.327454 -0.672870
C 4.202594 0.979313 -1.478669
C 4.722633 -0.332359 -1.576301
H -2.504364 -0.068833 0.681309
H -4.240548 -1.931194 -0.482117
H -4.077667 -1.748659 1.290503
H -1.728401 -3.272351 2.367369
H -0.754806 -3.808824 0.972755
H -3.546271 -4.135070 0.983012
H -2.640342 -3.786488 -0.527835
H 0.251292 0.298172 -0.106584
H -2.967536 1.458738 -0.319683
H -3.154290 2.129203 -1.936410
H 1.935658 0.119800 2.415089
H 1.757765 1.734914 1.646678
H -0.782029 1.262767 2.536472
H -0.289204 2.237058 -1.456722
H -1.439472 3.625610 -1.371753
H -0.876015 1.150117 -3.525894
H -2.599342 0.801295 -3.904523
H -1.426569 -0.550552 -3.694062
H 2.978930 -1.785383 1.021084
H 2.856170 2.312580 -0.395985
H 4.684742 -2.344401 -0.739974
H 4.549394 1.759194 -2.166744
H 5.467911 -0.574413 -2.342639


