%chk=000002618.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002618

0 1
 S   0.4414000       1.269400      -1.469500    
 S   -4.246000      0.3181000      -1.016600    
 S   -7.270600      0.5896000      -1.233800    
 O    1.004400      -3.205900     -0.3435000    
 O   -1.887500      -2.212500       1.855000    
 O   -2.419600      -2.814700     -0.2861000    
 O    4.358500      0.8851000     -0.8964000    
 N   0.1765000      -1.008100     -0.1310000    
 N    3.404000      -1.081400     -0.1155000    
 N    6.729100      0.4402000      0.4818000    
 N    7.651000      0.3456000     -0.4714000    
 N   -5.957500       1.056500      0.9167000    
 N    8.030200       2.113500      0.8330000    
 N    8.453200       1.380200     -0.2526000    
 N   -7.284800       1.291800       1.230400    
 C    1.105100      9.9799998E-02 -0.2621000    
 C    2.117400     -0.9374000     -0.7958000    
 C    1.062600      -1.998800     -0.3714000    
 C   -1.143200     -0.8575000      0.1510000    
 C   -1.756600      0.3452000      4.3800000E-02
 C   -1.063900       1.596700     -0.4909000    
 C   -3.195700      0.6097000      0.4163000    
 C   -1.890200      -2.070800      0.5149000    
 C    4.429400     -0.1421000     -0.2269000    
 C    5.649800     -0.5380000      0.5754000    
 C   -5.832600      0.6888000     -0.3277000    
 C    6.952300       1.505700       1.272500    
 C   -8.074300       1.085500      0.1982000    
 C   -9.542300       1.245700      0.2023000    
 H    1.373400      0.5403000      0.7060000    
 H    2.260800     -0.9386000      -1.884900    
 H  -0.8049000       2.252900      0.3474000    
 H   -1.737900       2.152500      -1.150800    
 H    3.576300      -1.898200      0.4662000    
 H   -3.309600       1.639100      0.7754000    
 H   -3.506800     -4.4100001E-02   1.238200    
 H    5.382700     -0.6304000       1.633700    
 H    6.038200      -1.498400      0.2201000    
 H   -2.377700      -3.011900       2.142800    
 H    6.340100       1.793700       2.114600    
 H   -9.890900       1.566600       1.189200    
 H   -10.04130      0.3011000     -3.6699999E-02
 H   -9.857200       2.001400     -0.5244000    


%chk=000002618-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002618

0 1
S -0.730757 1.359560 0.614833
S -4.785773 -1.482469 -0.558994
S -6.916206 0.613078 -1.506638
O 1.309203 -2.278572 -1.474129
O -0.383494 -3.997064 0.234099
O -2.625519 -3.754343 -0.330736
O 3.749809 1.789637 -0.485096
N -0.021379 -1.322991 0.356155
N 3.041737 -0.214589 0.473675
N 6.469956 0.925024 0.030264
N 7.568374 0.041397 -0.125560
N -5.307021 1.013346 0.588239
N 7.918839 1.948383 -1.314939
N 8.427043 0.677889 -0.938794
N -6.101244 2.178048 0.503312
C 0.482770 -0.052049 0.932770
C 1.695756 -0.128354 -0.059145
C 1.045920 -1.456162 -0.587267
C -1.337404 -1.823467 0.456487
C -2.370193 -1.028292 0.922100
C -2.191025 0.413514 1.363493
C -3.773488 -1.550943 1.089555
C -1.546975 -3.248754 0.067057
C 3.989223 0.762195 0.209074
C 5.353148 0.536221 0.891502
C -5.590892 0.112148 -0.355195
C 6.716575 2.062153 -0.697538
C -6.971786 2.164602 -0.498487
C -7.920699 3.276236 -0.820896
H 0.716330 -0.113292 2.007324
H 1.676140 0.676397 -0.814958
H -2.091650 0.457617 2.465303
H -3.097022 0.990355 1.100027
H 3.317742 -1.065808 0.968286
H -4.349323 -0.942448 1.803481
H -3.824794 -2.617950 1.344098
H 5.367496 1.139774 1.819421
H 5.523200 -0.517872 1.165989
H -0.523605 -4.916011 -0.120443
H 6.027189 2.894891 -0.784270
H -7.777265 4.087812 -0.089691
H -8.971411 2.938498 -0.772660
H -7.742226 3.678556 -1.834202


