%chk=000004281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004281

0 1
 S   0.6704000      0.2395000       1.652600    
 O   -2.867400     -0.8703000       1.346900    
 O   0.9972000     -0.1673000       3.006000    
 O  -5.4000001E-03   1.500200       1.412800    
 N  -0.1982000     -0.9978000      0.8833000    
 N   -3.177900      0.7139000     -0.3118000    
 C   -1.096600     -0.6703000     -0.2548000    
 C   -1.209700      -1.859700      -1.232600    
 C   -2.451100     -0.2902000      0.3378000    
 C   -1.801700      -3.122200     -0.5954000    
 C   0.1450000      -2.183700      -1.870100    
 C   -2.738700       1.471000      -1.482400    
 C   -4.482300       1.102200      0.2127000    
 C    2.169300      0.2719000      0.7163000    
 C   -1.988700       2.727500      -1.073900    
 C   -5.592800      0.2711000     -0.4072000    
 C    2.254100       1.094400     -0.3938000    
 C    3.230000     -0.5255000       1.109900    
 C    3.436500       1.120100      -1.133500    
 C    4.412300     -0.4995000      0.3703000    
 C    4.515500      0.3234000     -0.7514000    
 C    5.780100      0.3511000      -1.541800    
 H  -0.6497000      0.1704000     -0.7885000    
 H   -1.890100      -1.565500      -2.042700    
 H  -0.4223000      -1.845000       1.418400    
 H   -1.183000      -3.499900      0.2242000    
 H   -1.876500      -3.922000      -1.341200    
 H   -2.812600      -2.947800     -0.2160000    
 H   0.8660000      -2.544600      -1.129100    
 H   3.5799999E-02  -2.959800      -2.635200    
 H   0.5685000      -1.297700      -2.354800    
 H   -2.107900      0.8512000      -2.124400    
 H   -3.617300       1.737300      -2.081000    
 H   -4.493100      0.9553000       1.298600    
 H   -4.652900       2.169000      3.1900000E-02
 H   -2.576100       3.344000     -0.3864000    
 H   -1.041600       2.492200     -0.5887000    
 H   -1.761600       3.330400      -1.959100    
 H   -5.629000      0.4046000      -1.493200    
 H   -5.445700     -0.7956000     -0.2080000    
 H   -6.563000      0.5649000      5.1000002E-03
 H    1.425400       1.718700     -0.7121000    
 H    3.165400      -1.177100       1.975800    
 H    3.504900       1.765600      -2.005200    
 H    5.246300      -1.124800      0.6779000    
 H    6.290900     -0.6171000      -1.504000    
 H    5.581900      0.5673000      -2.597100    
 H    6.453100       1.118600      -1.146800    


%chk=000004281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004281

0 1
S 0.867876 0.821865 0.944211
O -2.646780 -0.913024 1.400374
O 0.857678 0.897158 2.571133
O 0.389942 2.084363 0.012570
N -0.130058 -0.690854 0.390385
N -3.581780 0.575864 -0.126403
C -1.253577 -0.324626 -0.512123
C -1.367935 -1.400275 -1.650934
C -2.555405 -0.225727 0.323528
C -1.543119 -2.828726 -1.088798
C -0.137884 -1.310405 -2.581404
C -3.482140 1.490285 -1.292479
C -4.830211 0.638604 0.677601
C 2.613046 0.371327 0.406303
C -2.938564 2.887442 -0.916961
C -5.892037 -0.368081 0.188618
C 3.015857 0.679810 -0.901999
C 3.453835 -0.235452 1.351607
C 4.336023 0.348285 -1.277795
C 4.769153 -0.557240 0.950199
C 5.227651 -0.273671 -0.363572
C 6.653693 -0.595980 -0.771266
H -1.010810 0.651210 -0.974413
H -2.275901 -1.139935 -2.236482
H -0.535578 -1.074145 1.280261
H -0.643228 -3.125433 -0.520541
H -1.681096 -3.549485 -1.915368
H -2.412705 -2.902521 -0.412562
H 0.784949 -1.494536 -2.002742
H -0.201848 -2.069401 -3.382513
H -0.056939 -0.314660 -3.058385
H -2.851456 1.032167 -2.073422
H -4.496236 1.578036 -1.726072
H -4.562206 0.420996 1.724992
H -5.217439 1.673125 0.624291
H -3.570022 3.362172 -0.144242
H -1.906989 2.822943 -0.527148
H -2.935988 3.545583 -1.805717
H -6.154875 -0.198708 -0.871997
H -5.516485 -1.400000 0.296104
H -6.815119 -0.272178 0.789218
H 2.329095 1.180059 -1.591923
H 3.095379 -0.429541 2.367621
H 4.677890 0.578640 -2.293390
H 5.447187 -1.032673 1.668167
H 7.042018 -1.475078 -0.228426
H 6.731145 -0.798399 -1.853525
H 7.327689 0.253220 -0.546281


