%chk=000005740.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005740

0 1
 S    5.394300      -2.199400      -1.378200    
 O   -4.668300       1.802700     -0.5611000    
 O   -5.949500     -0.6610000     -0.4601000    
 O    8.448500     -0.6836000      -1.513600    
 N  -5.2700002E-02  0.9771000       1.386600    
 N   -2.073900      -2.633400       1.481600    
 N  -0.1037000      -1.315200       1.914500    
 N    5.494600      0.3539000     -0.9867000    
 C   -2.063100     -0.2997000      0.9283000    
 C   -2.698700      -1.550800      0.9858000    
 C  -0.7585000     -0.2516000       1.411900    
 C   -2.726200      0.8253000      0.4079000    
 C   -4.031500      0.7090000     -5.9799999E-02
 C   -4.671500     -0.5243000     -8.0000004E-03
 C    1.311800       1.283100       1.262800    
 C   -4.005200      -1.638400      0.5110000    
 C    3.516800      0.7421000      0.4197000    
 C    2.161100      0.4377000      0.5422000    
 C    1.831400       2.435900       1.859600    
 C    4.384500     -0.1285000     -0.3230000    
 C    4.029800       1.893400       1.017200    
 C    3.187200       2.740300       1.737000    
 C  -0.8105000      -2.456900       1.918500    
 C   -4.074400       2.438000      -1.692100    
 C   -6.164300      -1.582500      -1.527100    
 C    4.165000      -1.485800     -0.4187000    
 C    6.103300     -0.6496000      -1.578800    
 C   -5.165200       3.059900      -2.537700    
 C   -7.345800      -1.116600      -2.350800    
 C    7.334400     -0.5212000      -2.388800    
 H   -2.242300       1.797100      0.3612000    
 H   -4.518200      -2.597800      0.5555000    
 H  -0.6101000       1.759100       1.719300    
 H    1.742500     -0.4384000      5.2299999E-02
 H    1.187100       3.104800       2.424900    
 H    5.083800       2.149700      0.9399000    
 H    3.586800       3.636100       2.203400    
 H  -0.3124000      -3.332800       2.316100    
 H   -3.385900       3.214700      -1.341900    
 H   -3.514300       1.716700      -2.300300    
 H   -5.279500      -1.650100      -2.172400    
 H   -6.371600      -2.572400      -1.106400    
 H    3.386100      -2.098800      1.3400000E-02
 H   -4.742900       3.568000      -3.409100    
 H   -5.869200       2.294900      -2.881400    
 H   -5.742300       3.783200      -1.952200    
 H   -7.546600      -1.808700      -3.173300    
 H   -8.243100      -1.037600      -1.728300    
 H   -7.157500     -0.1207000      -2.765200    
 H    7.392600      0.4735000      -2.841900    
 H    7.395600      -1.270000      -3.184900    
 H    9.250800     -0.5805000      -2.053400    


%chk=000005740-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005740

0 1
S 6.389640 -2.442574 0.204280
O -5.184482 1.738326 -0.771110
O -6.264241 -0.657897 -0.701481
O 9.215440 -1.816283 0.672716
N 0.064028 0.941227 -0.357250
N -1.882267 -2.797233 -0.280179
N 0.141063 -1.431660 -0.221081
N 6.276636 0.212153 -0.020680
C -2.039002 -0.322081 -0.431916
C -2.639141 -1.629760 -0.397673
C -0.584627 -0.286519 -0.333941
C -2.887819 0.822952 -0.557983
C -4.278845 0.686184 -0.645859
C -4.877727 -0.633563 -0.608551
C 1.445364 1.277044 -0.294585
C -4.057113 -1.758181 -0.486999
C 3.837980 0.749169 -0.137603
C 2.485718 0.323413 -0.189839
C 1.762923 2.664923 -0.346739
C 4.935012 -0.237808 -0.027030
C 4.148245 2.133876 -0.192106
C 3.107002 3.080051 -0.295603
C -0.552678 -2.620498 -0.201242
C -4.643024 3.112062 -0.818692
C -6.924631 -1.983598 -0.664739
C 4.805896 -1.619475 0.084925
C 7.143294 -0.772653 0.085086
C -5.837635 4.049660 -0.964469
C -8.424051 -1.729083 -0.777800
C 8.636651 -0.620527 0.050505
H -2.467900 1.832755 -0.590879
H -4.457872 -2.773701 -0.455614
H -0.547947 1.753587 -0.435435
H 2.204824 -0.729820 -0.154387
H 0.960173 3.410219 -0.427885
H 5.196136 2.442709 -0.151606
H 3.343707 4.148836 -0.336575
H 0.063300 -3.521021 -0.109490
H -4.080004 3.316261 0.116075
H -3.950249 3.203595 -1.681379
H -6.549799 -2.598920 -1.507617
H -6.666784 -2.490636 0.287123
H 3.893722 -2.210490 0.126947
H -5.493008 5.098896 -1.005855
H -6.395989 3.826279 -1.889058
H -6.525334 3.939014 -0.109285
H -8.971502 -2.688785 -0.753374
H -8.777051 -1.102116 0.058307
H -8.662027 -1.213187 -1.723314
H 8.907831 0.305567 0.596135
H 8.968933 -0.516626 -1.005471
H 10.178328 -1.874164 0.455678


