%chk=000124236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124236

0 1
 S    2.401200      0.1228000       1.705300    
 O  -8.9199997E-02   2.541800      0.5331000    
 O    3.407000      0.1392000       2.745100    
 O    1.009100     -0.1857000       1.949800    
 O    3.198000       2.115000      -1.485200    
 O   -1.857400      -2.673600      0.5174000    
 O  -0.7906000       3.258200      -1.553600    
 O   -2.862700      -2.855100      -1.560000    
 N    2.540900       1.518200      0.7156000    
 N   -4.124000      0.9834000      0.4636000    
 C   -1.740900      0.1861000     -0.8433000    
 C   -1.991300       1.609300     -0.3465000    
 C   -2.817900     -0.7966000     -0.3861000    
 C    2.181500       2.841600       1.274400    
 C    2.969000     -0.8942000      0.4098000    
 C   -3.157000       1.951600      0.2469000    
 C    3.254800     -0.1646000     -0.7440000    
 C   -3.953700     -0.3678000      0.2088000    
 C    3.015900       1.286200     -0.6120000    
 C   -1.648700      0.1761000      -2.377600    
 C    1.029700       3.433000      0.4823000    
 C  -0.8985000       2.573100     -0.5532000    
 C    3.127700      -2.262500      0.4864000    
 C    3.718800     -0.8055000      -1.879600    
 C   -3.517200       3.318800      0.7642000    
 C   -2.529400      -2.227400     -0.5714000    
 C   -5.094500      -1.245800      0.6471000    
 C    3.595200      -2.914500     -0.6554000    
 C    3.888200      -2.193100      -1.827800    
 C   -1.501800      -4.059700      0.4860000    
 C  -0.7621000      -4.408100       1.760000    
 H  -0.7807000     -0.1500000     -0.4294000    
 H    3.056900       3.498200       1.243100    
 H    1.887300       2.725300       2.323500    
 H  -0.8374000      0.8203000      -2.733200    
 H   -1.439300     -0.8293000      -2.758500    
 H   -2.580800      0.5227000      -2.839300    
 H    1.341000       3.635300     -0.5483000    
 H   0.7253000       4.382600      0.9358000    
 H   -4.983600       1.270500      0.9181000    
 H    2.900400      -2.816300       1.389800    
 H    3.947400     -0.2596000      -2.788500    
 H   -4.421300       3.685000      0.2660000    
 H   -2.727400       4.056600      0.5960000    
 H   -3.707800       3.278900       1.842000    
 H   -6.020700     -0.9381000      0.1497000    
 H   -5.240300      -1.163400       1.729500    
 H   -4.934100      -2.302500      0.4152000    
 H    3.734900      -3.992200     -0.6416000    
 H    4.250800      -2.723300      -2.704600    
 H  -0.8581000      -4.251700     -0.3798000    
 H   -2.409700      -4.668100      0.4065000    
 H   -1.386800      -4.205000       2.636000    
 H   0.1383000      -3.793100       1.862600    
 H  -0.4727000      -5.462500       1.768800    


%chk=000124236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124236

0 1
S 2.297761 -0.903193 0.189927
O -0.239445 1.777097 0.445621
O 2.358722 -1.533573 1.685330
O 0.993556 -1.196053 -0.719988
O 4.461340 2.432513 -0.236612
O -2.121701 -2.346772 1.351718
O -1.442645 3.713972 -0.040956
O -4.388161 -2.701737 1.747876
N 2.735276 0.950260 0.327529
N -4.910876 1.145194 -0.279355
C -2.358733 0.015242 0.009449
C -2.566984 1.532979 -0.042829
C -3.611589 -0.682657 0.558437
C 2.033026 1.811461 1.288588
C 3.873861 -1.137014 -0.818847
C -3.831486 2.036604 -0.310880
C 4.547351 0.086468 -0.965760
C -4.856337 -0.139935 0.297355
C 3.944563 1.279162 -0.283211
C -2.013066 -0.532585 -1.407344
C 0.919373 2.664933 0.681974
C -1.438850 2.454571 0.094815
C 4.297634 -2.344869 -1.378866
C 5.741262 0.112819 -1.715402
C -4.197542 3.477814 -0.588496
C -3.472344 -1.972754 1.263931
C -6.215522 -0.730908 0.596882
C 5.501403 -2.304095 -2.128702
C 6.212008 -1.088988 -2.292794
C -1.834083 -3.622282 2.066526
C -0.364590 -3.946078 1.812009
H -1.502965 -0.215211 0.660086
H 2.797353 2.484999 1.721639
H 1.627935 1.178194 2.100268
H -1.090586 -0.057212 -1.782799
H -1.831035 -1.620130 -1.355596
H -2.837627 -0.337668 -2.118607
H 1.234565 3.135497 -0.265510
H 0.628681 3.467493 1.385264
H -5.836335 1.518222 -0.496952
H 3.738471 -3.275897 -1.249486
H 6.273274 1.062583 -1.829963
H -5.258104 3.566314 -0.890967
H -3.556698 3.905631 -1.375321
H -4.029330 4.106090 0.303642
H -6.900137 -0.579660 -0.260886
H -6.668962 -0.243614 1.482024
H -6.130811 -1.802366 0.820312
H 5.881222 -3.224333 -2.583842
H 7.138029 -1.081658 -2.876374
H -2.517924 -4.402639 1.686070
H -2.052990 -3.471417 3.140345
H 0.294386 -3.133463 2.161094
H -0.180393 -4.090237 0.733234
H -0.091502 -4.876615 2.343901


