%chk=000017410.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017410

0 1
 S    3.937300       1.772900     -0.4788000    
 S   0.1637000      -2.895200       2.036200    
 S    6.561100      -1.776400      -1.734600    
 O   -3.245300       2.462100     -0.2327000    
 O   -4.616700      -2.695700     -0.4819000    
 O    3.383300      0.9534000      -1.547300    
 O    4.935100       2.787600     -0.7899000    
 O   0.7765000      -3.694000      0.7503000    
 O    5.453000     -0.8684000     -0.9479000    
 O    1.261900      -2.170800       2.654000    
 O  -0.6458000      -3.823600       2.806000    
 O    5.731400      -2.378400      -3.003700    
 O    7.570400     -0.8758000      -2.260000    
 O    6.947100      -2.888300     -0.8859000    
 N  -0.9984000       1.949200      0.9904000    
 N   -2.457700      -3.470600      0.7162000    
 C   -2.636300      0.2320000      0.2897000    
 C   -2.993600      -1.116400      0.2244000    
 C   -1.427300      0.6059000      0.8885000    
 C   -2.141500      -2.091000      0.7577000    
 C  -0.9375000      -1.714100       1.353300    
 C   -3.525600       1.270500     -0.2695000    
 C   -4.798600      0.8622000     -0.8977000    
 C   -5.156100     -0.4862000     -0.9627000    
 C   -4.266500      -1.524800     -0.4041000    
 C  -0.5812000     -0.3686000       1.418500    
 C   0.2771000       2.540300       1.015300    
 C    2.608000       2.526500      0.3655000    
 C    1.342900       1.939400      0.3410000    
 C    4.664200      0.6834000      0.7245000    
 C   -5.650800       1.836800      -1.430800    
 C   -6.365400     -0.8600000      -1.560900    
 C   0.4844000       3.732300       1.714300    
 C    2.811100       3.716600       1.064400    
 C    5.853100     -6.6500001E-02  0.1560000    
 C    1.749200       4.319300       1.738800    
 C   -6.855000       1.460000      -2.025900    
 C   -7.211500      0.1145000      -2.091000    
 H   0.3410000     -7.5999998E-02   1.911100    
 H   -1.758200       2.612000       1.111800    
 H    3.879900     -1.9200001E-02   1.025000    
 H    4.966300       1.286100       1.585900    
 H    1.188000       1.023100     -0.2221000    
 H   -5.398000       2.893100      -1.393900    
 H   -6.668800      -1.901500      -1.625400    
 H  -0.3344000       4.211800       2.245000    
 H    3.789300       4.187600       1.102000    
 H   -1.821200      -4.166600       1.076900    
 H   -3.319600      -3.784900      0.2936000    
 H    6.625800      0.6363000     -0.1739000    
 H    6.282100     -0.7142000      0.9281000    
 H    1.907800       5.244900       2.284400    
 H   -7.515600       2.216600      -2.439300    
 H   -8.149600     -0.1761000      -2.555000    
 H    1.291100      -3.142100      0.1154000    
 H    4.850900      -2.765200      -2.786200    


%chk=000017410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017410

0 1
S 3.671982 1.473543 -0.578742
S 1.249443 -2.215893 0.908078
S 5.568486 -2.983077 -0.474748
O -3.687521 2.534483 0.384569
O -4.033060 -2.800714 -1.017940
O 2.625143 0.383107 -1.305768
O 4.766476 2.272885 -1.471588
O 2.170008 -1.998603 -0.667679
O 5.319279 -1.132779 -0.849665
O 2.099651 -1.411681 2.032187
O 0.977857 -3.805774 0.997099
O 4.117914 -3.515779 -1.277621
O 6.813928 -3.559921 -1.289842
O 5.528671 -3.096658 1.137087
N -1.174058 2.301215 0.990546
N -1.570713 -3.212665 -0.305374
C -2.590964 0.387280 0.235463
C -2.678336 -1.013876 -0.101463
C -1.376367 0.930931 0.764819
C -1.536061 -1.899998 0.053211
C -0.378312 -1.293801 0.653662
C -3.751620 1.288534 0.045847
C -4.997088 0.733577 -0.524851
C -5.082809 -0.648088 -0.861357
C -3.924891 -1.561657 -0.668424
C -0.314420 0.025324 1.054152
C 0.117555 2.877758 0.952018
C 2.446332 2.658803 0.295288
C 1.126983 2.235417 0.186221
C 4.611023 0.494542 0.837802
C -6.116226 1.581874 -0.726960
C -6.288996 -1.164580 -1.397388
C 0.467792 4.058908 1.660632
C 2.844379 3.809564 0.996214
C 5.795267 -0.223175 0.201370
C 1.804898 4.524630 1.649402
C -7.309074 1.060689 -1.261470
C -7.395312 -0.316326 -1.596763
H 0.569302 0.366400 1.599036
H -2.052714 2.860624 0.948345
H 3.846171 -0.173327 1.270860
H 4.922465 1.285445 1.541478
H 0.899589 1.406719 -0.488833
H -6.022021 2.637834 -0.456888
H -6.328542 -2.228452 -1.648896
H -0.292917 4.595281 2.237490
H 3.883088 4.150132 1.034349
H -0.777048 -3.828060 -0.094724
H -2.465419 -3.547344 -0.705252
H 6.497507 0.482916 -0.277415
H 6.317177 -0.776116 1.010884
H 2.054109 5.439526 2.196795
H -8.171581 1.716433 -1.419382
H -8.324856 -0.719659 -2.012013
H 2.406326 -0.962765 -0.911391
H 3.278930 -2.917805 -0.999366


