%chk=000030708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030708

0 1
 S    1.696100      -2.268500      0.6260000    
 O    1.052200       2.088700       1.174800    
 N   -2.692300      0.3291000      0.1648000    
 C   -1.463000       1.108900      0.3066000    
 C  -0.2468000      0.1927000      0.4437000    
 C   -2.632500     -0.5103000      -1.040000    
 C   -3.863500       1.216500      0.1365000    
 C   -3.890500      -1.369600      -1.176900    
 C   -5.161600      0.4138000      3.7900001E-02
 C   -5.150700     -0.5120000      -1.173200    
 C  -0.4018000     -0.7387000       1.649100    
 C    1.025100       1.010400      0.5864000    
 C   0.8651000      -1.494400       2.043900    
 C    2.279700      0.4749000     -9.9999998E-03
 C    2.621300     -0.8903000     -6.1400000E-02
 C    3.143800       1.436700     -0.5627000    
 C    3.820600      -1.252000     -0.7044000    
 C    4.331200       1.054400      -1.182800    
 C    4.667500     -0.2905000      -1.258200    
 H   -1.323400       1.788100     -0.5458000    
 H   -1.537800       1.744800       1.199000    
 H  -0.1209000     -0.3743000     -0.4833000    
 H   -1.809200      -1.228300      -1.007300    
 H   -2.503100      0.1031000      -1.941300    
 H   -3.801000       1.919300     -0.7048000    
 H   -3.901400       1.812100       1.056700    
 H   -3.936300      -2.089700     -0.3498000    
 H   -3.843500      -1.951100      -2.104700    
 H   -6.015600       1.097500     -2.7300000E-02
 H   -5.296300     -0.1804000      0.9507000    
 H   -5.188900      8.6499996E-02  -2.091700    
 H   -6.040700      -1.150600      -1.166900    
 H   -1.191400      -1.474200       1.448900    
 H  -0.7340000     -0.1686000       2.526900    
 H    1.567900     -0.8410000       2.572600    
 H   0.5969000      -2.289600       2.748200    
 H    2.895400       2.495400     -0.5341000    
 H    4.122400      -2.296000     -0.7749000    
 H    4.987500       1.805600      -1.611700    
 H    5.589700     -0.5950000      -1.744100    


%chk=000030708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030708

0 1
S 1.678234 -2.272647 0.577058
O 0.980049 2.272828 0.818919
N -2.703498 0.294496 -0.020333
C -1.451259 1.083386 0.068539
C -0.212395 0.199865 0.361863
C -2.813797 -0.466717 -1.292062
C -3.906812 1.137357 0.207182
C -4.061691 -1.373444 -1.296085
C -5.186153 0.278672 0.259436
C -5.342703 -0.548376 -1.037074
C -0.406851 -0.618477 1.670343
C 1.051884 1.061591 0.445018
C 0.839840 -1.424560 2.059043
C 2.373964 0.490083 -0.004272
C 2.713166 -0.896696 -0.066662
C 3.338434 1.441834 -0.452051
C 3.958451 -1.293846 -0.620549
C 4.567428 1.044648 -1.003253
C 4.871002 -0.336073 -1.103897
H -1.264479 1.674418 -0.863497
H -1.552658 1.817793 0.887387
H -0.064343 -0.539197 -0.450326
H -1.905914 -1.083806 -1.421073
H -2.863981 0.234226 -2.168622
H -4.018714 1.909133 -0.601088
H -3.773366 1.680020 1.161491
H -3.948352 -2.139556 -0.504401
H -4.126763 -1.902285 -2.266566
H -6.064102 0.935317 0.413448
H -5.120058 -0.404626 1.128451
H -5.516853 0.138280 -1.891708
H -6.225559 -1.212150 -0.971252
H -1.285468 -1.269903 1.521111
H -0.652832 0.076665 2.498462
H 1.618835 -0.794525 2.521732
H 0.600759 -2.252940 2.746862
H 3.069511 2.499796 -0.365040
H 4.216575 -2.358038 -0.643305
H 5.282504 1.795459 -1.355118
H 5.824164 -0.664604 -1.532709


