%chk=000034470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034470

0 1
 S    3.772000      -1.416700     -0.7775000    
 O    2.105100      0.9772000      -1.844000    
 O    3.825300      -1.311100      -2.222900    
 O    4.871400      -2.011700     -4.2700000E-02
 O   -2.013300     -0.9275000       2.208800    
 N    2.496400       2.263500      3.6300000E-02
 N    3.411900      0.1156000     -0.1105000    
 N   -2.708000      -2.564500      0.7194000    
 N   -3.721000     -0.6422000     -0.8547000    
 C    1.737900       3.422100     -0.3802000    
 C    2.354300       4.711900      0.1719000    
 C   0.2660000       3.291800      2.6000001E-02
 C    2.144300       4.862400       1.678500    
 C   5.9300002E-02   3.444700       1.533000    
 C   0.6713000       4.740500       2.056600    
 C    2.617500       1.126600     -0.7388000    
 C    2.317900      -2.323800     -0.3453000    
 C   2.3499999E-02  -3.757400      0.3348000    
 C    1.228300      -2.349800      -1.215800    
 C    2.260300      -3.014500      0.8651000    
 C   -1.203800      -4.522600      0.6988000    
 C   8.1100002E-02  -3.066600     -0.8757000    
 C    1.113100      -3.731300       1.205200    
 C   -2.235600      -3.694100       1.474100    
 C   -2.555400      -1.254300       1.156200    
 C   -3.121600     -0.2014000      0.2741000    
 C   -3.018000       1.134700      0.6264000    
 C   -4.189500       1.664500      -1.406300    
 C   -3.564800       2.079100     -0.2353000    
 C   -4.240700      0.3048000      -1.667700    
 C   -4.785000       2.650100      -2.347700    
 H    1.785200       3.464500      -1.475500    
 H    1.896600       5.571000     -0.3351000    
 H    3.427600       4.746400     -5.0500002E-02
 H  -0.3157000       4.067100     -0.4889000    
 H  -0.1375000       2.325800     -0.2996000    
 H    2.725400       4.105000       2.217400    
 H    2.524600       5.837800       2.003200    
 H   -1.012300       3.433900       1.759700    
 H   0.5037000       2.589900       2.056800    
 H   0.1186000       5.595200       1.647400    
 H   0.5651000       4.784800       3.146400    
 H    2.922500       2.260300      0.9577000    
 H    3.836600      0.3385000      0.7985000    
 H   -1.666600      -4.922100     -0.2137000    
 H  -0.9292000      -5.401900       1.295500    
 H    1.250300      -1.816500      -2.161700    
 H    3.093900      -3.001600       1.561600    
 H  -0.7602000      -3.078200      -1.563800    
 H    1.078800      -4.261900       2.153000    
 H   -1.816100      -3.363400       2.430500    
 H   -3.109300      -4.317100       1.693500    
 H   -3.202400      -2.742900     -0.1503000    
 H   -2.533300       1.456800       1.541100    
 H   -3.496500       3.134400      1.4700000E-02
 H   -4.713300     -8.0700003E-02  -2.565700    
 H   -5.180300       3.518400      -1.809800    
 H   -5.618900       2.211100      -2.905700    
 H   -4.029400       2.993300      -3.061300    


%chk=000034470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034470

0 1
S 3.764804 -1.421695 -0.252067
O 1.701147 0.714371 -1.190086
O 4.232458 -1.296803 -1.793453
O 4.804730 -1.927592 0.894708
O -2.011622 -1.520026 2.144378
N 2.451710 2.409781 0.242340
N 3.321288 0.234979 0.430905
N -2.922115 -2.916731 0.490176
N -3.864007 -0.825363 -0.901613
C 1.531806 3.437563 -0.299785
C 2.246064 4.811372 -0.357279
C 0.217331 3.529712 0.524228
C 2.471329 5.425098 1.047830
C 0.445610 4.136112 1.929235
C 1.144296 5.515290 1.840071
C 2.443629 1.110268 -0.241307
C 2.181702 -2.433313 -0.129352
C -0.093337 -4.031734 0.050723
C 1.235425 -2.339974 -1.159509
C 2.061148 -3.281871 0.982548
C -1.355543 -4.867131 0.176682
C 0.089104 -3.157922 -1.053041
C 0.903486 -4.084097 1.060083
C -2.447393 -4.178015 1.054196
C -2.646975 -1.690319 1.055579
C -3.186669 -0.529538 0.250825
C -2.974459 0.796144 0.689357
C -4.188582 1.575393 -1.290175
C -3.479721 1.854267 -0.091597
C -4.348322 0.208571 -1.640779
C -4.747801 2.678658 -2.163952
H 1.285582 3.099054 -1.322072
H 1.607213 5.499890 -0.945415
H 3.202754 4.710272 -0.903583
H -0.493222 4.169473 -0.040086
H -0.233819 2.522515 0.593274
H 3.201438 4.816785 1.624801
H 2.928268 6.427889 0.946388
H -0.519947 4.230502 2.462294
H 1.067866 3.444194 2.533719
H 0.468455 6.232222 1.328871
H 1.330405 5.918424 2.854110
H 3.074454 2.670810 1.007321
H 3.992505 0.518044 1.154494
H -1.780109 -5.075396 -0.824030
H -1.127722 -5.845147 0.642682
H 1.381313 -1.644333 -1.989526
H 2.849402 -3.319390 1.740909
H -0.674212 -3.109707 -1.837440
H 0.775078 -4.755733 1.916768
H -2.040017 -3.946795 2.054059
H -3.296979 -4.877237 1.179108
H -3.453821 -2.880239 -0.389027
H -2.423104 0.954493 1.620432
H -3.326520 2.893474 0.222927
H -4.886690 -0.064656 -2.556501
H -5.459571 3.312507 -1.603129
H -5.278229 2.269978 -3.040941
H -3.943194 3.340550 -2.534775


