%chk=000148943.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148943

0 1
 S   -5.941400      0.8083000      0.9074000    
 O    4.794200       2.457600      0.6330000    
 O   -7.190900      0.5475000       1.597400    
 O   -4.946200       1.685500       1.491600    
 N   5.8200002E-02 -0.7203000      -1.432500    
 N    3.735200     -7.7399999E-02  0.4737000    
 N   -5.243500     -0.7002000      0.4560000    
 C    1.304900     -0.5024000     -0.7859000    
 C    1.830600      0.7915000     -0.7122000    
 C    1.995600      -1.583600     -0.2293000    
 C    3.065900      0.9605000     -6.4199999E-02
 C    3.224300      -1.321700      0.3999000    
 C   -1.261600     -0.7158000     -0.9622000    
 C    1.158200       1.896400      -1.263000    
 C    3.594500       2.246300      1.2500000E-02
 C    1.490900      -2.894300     -0.2889000    
 C    3.916800      -2.394100      0.9560000    
 C    1.708200       3.171700      -1.172800    
 C    2.928900       3.346500     -0.5336000    
 C   -2.324800     -0.9666000      -1.837400    
 C   -1.530400     -0.4595000      0.3872000    
 C    2.202700      -3.948900      0.2748000    
 C   -3.898700     -0.7049000     -2.3300000E-02
 C    3.418100      -3.697900      0.8985000    
 C   -3.638800     -0.9611000      -1.369500    
 C   -2.844500     -0.4543000      0.8551000    
 C   -6.362300       1.452200     -0.6966000    
 C    4.756000       2.739000       2.028400    
 H   0.1598000     -0.9172000      -2.423900    
 H   0.2043000       1.794500      -1.773900    
 H   0.5460000      -3.126600     -0.7733000    
 H    4.871500      -2.223000       1.450300    
 H    1.187500       4.023100      -1.600100    
 H    3.361200       4.341000     -0.4629000    
 H   -2.137900      -1.167400      -2.889500    
 H  -0.7291000     -0.2635000       1.094800    
 H    1.811400      -4.960400      0.2264000    
 H    3.981800      -4.513700       1.341400    
 H   -4.452400      -1.156600      -2.063200    
 H   -3.029900     -0.2659000       1.909400    
 H   -5.870700      -1.335300     -5.5799998E-02
 H   -7.018600      0.7429000      -1.204000    
 H   -6.886200       2.399600     -0.5505000    
 H   -5.449100       1.623500      -1.268500    
 H    4.300400       1.910200       2.579600    
 H    4.203000       3.664300       2.218600    
 H    5.783100       2.868200       2.380500    


%chk=000148943-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148943

0 1
S -6.120847 1.460426 0.440590
O 4.072829 3.001995 0.904646
O -7.744335 1.368466 0.502937
O -5.263670 2.292561 1.541512
N -0.063676 -1.302103 -1.079242
N 3.668459 0.133987 0.482307
N -5.444796 -0.453784 0.522128
C 1.140397 -0.797211 -0.523335
C 1.381542 0.610905 -0.390026
C 2.168610 -1.730891 -0.178900
C 2.671049 1.019899 0.180885
C 3.443341 -1.201519 0.286302
C -1.391756 -1.032627 -0.691507
C 0.462158 1.608247 -0.854051
C 2.917289 2.445819 0.366429
C 2.004969 -3.158780 -0.256628
C 4.513822 -2.116385 0.581457
C 0.767341 2.960919 -0.707608
C 1.976001 3.380943 -0.082124
C -2.452134 -1.518264 -1.512274
C -1.713771 -0.336092 0.511720
C 3.060409 -4.016215 0.047094
C -4.117369 -0.628391 0.065360
C 4.333572 -3.490358 0.454883
C -3.790924 -1.298290 -1.152844
C -3.051384 -0.147383 0.885405
C -5.629870 2.198294 -1.279684
C 4.956823 2.277168 1.839033
H 0.050245 -2.076282 -1.737701
H -0.470168 1.306226 -1.335515
H 1.029829 -3.582946 -0.521546
H 5.463639 -1.685097 0.912308
H 0.067240 3.720943 -1.070483
H 2.202321 4.442479 0.053636
H -2.217618 -2.053305 -2.440910
H -0.913378 0.026724 1.162221
H 2.917483 -5.100829 -0.008504
H 5.154323 -4.178674 0.683442
H -4.594441 -1.666946 -1.803514
H -3.302752 0.357675 1.822903
H -6.155939 -0.944280 -0.056537
H -6.226987 1.668060 -2.033917
H -5.890974 3.263480 -1.210876
H -4.548756 2.040264 -1.392653
H 5.591097 1.558873 1.300136
H 4.370590 1.735420 2.601312
H 5.556365 3.074580 2.307236


