%chk=000017368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017368

0 1
 S  -0.9000000       2.146800     -0.1882000    
 S   0.3018000       1.455300       1.338700    
 S  -0.3124000      7.4400000E-02  -2.242300    
 S    2.500800       2.990500      4.7100000E-02
 N   -2.497500     -1.7500000E-02 -0.5597000    
 N    2.589300      0.2677000      0.4845000    
 C   -3.351600      0.4803000      0.5230000    
 C   -2.956700      -1.287100      -1.128700    
 C    1.999200     -0.9916000      0.9452000    
 C    3.930200      0.1098000     -8.7300003E-02
 C   -4.469200       1.381900      1.2700000E-02
 C   -2.391600      -2.493300     -0.3882000    
 C    2.297000      -1.269100       2.413900    
 C    3.894100     -0.1546000      -1.587700    
 C   -1.331900      0.6331000      -1.013200    
 C    1.905800       1.497200      0.5746000    
 C   -5.347900       1.920900       1.132600    
 C   -2.846400      -3.816900     -0.9865000    
 C    1.705900      -2.586500       2.895200    
 C    5.281300     -0.3414000      -2.185700    
 H   -2.762400       1.007900       1.276300    
 H   -3.783500     -0.3788000       1.051300    
 H   -2.687500      -1.343800      -2.187900    
 H   -4.053200      -1.309200      -1.103300    
 H    2.396200      -1.808400      0.3290000    
 H   0.9202000      -1.008500      0.7689000    
 H    4.445800     -0.7060000      0.4338000    
 H    4.518900       1.011300      0.1109000    
 H   -4.047700       2.226800     -0.5440000    
 H   -5.098200      0.8311000     -0.6967000    
 H   -1.295900      -2.460500     -0.3934000    
 H   -2.692800      -2.460300      0.6655000    
 H    3.381900      -1.292000       2.572800    
 H    1.914800     -0.4586000       3.044200    
 H    3.298700      -1.052000      -1.793500    
 H    3.393600      0.6716000      -2.105200    
 H   -5.821800       1.103200       1.684900    
 H   -4.760000       2.517200       1.837400    
 H   -6.137500       2.558300      0.7226000    
 H   -3.937100      -3.904500     -0.9568000    
 H   -2.521600      -3.906700      -2.028000    
 H   -2.421500      -4.653900     -0.4238000    
 H   0.6162000      -2.585900       2.791000    
 H    2.106300      -3.427600       2.320300    
 H    1.947700      -2.748700       3.950200    
 H    5.893800      0.5536000      -2.037600    
 H    5.794600      -1.190500      -1.723500    
 H    5.208900     -0.5310000      -3.261100    


%chk=000017368-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017368

0 1
S -1.360051 0.597561 1.805344
S 0.691342 0.055237 2.449053
S -0.672427 -2.021359 0.138155
S 1.318971 2.267471 0.288730
N -3.022704 -0.629756 0.034007
N 2.842988 0.040735 0.770853
C -3.937800 0.485831 0.403720
C -3.534886 -1.576990 -0.995281
C 3.053912 -1.347092 1.274684
C 3.896397 0.564184 -0.143542
C -3.747318 1.743539 -0.477869
C -4.215108 -2.816173 -0.370822
C 3.793682 -1.401645 2.631030
C 3.632757 0.197980 -1.622320
C -1.767385 -0.789766 0.552596
C 1.732520 0.797353 1.024511
C -4.721736 2.868853 -0.070030
C -4.755158 -3.769106 -1.458368
C 4.072249 -2.857598 3.060805
C 4.750374 0.736486 -2.540192
H -3.796321 0.742351 1.471291
H -4.972788 0.106937 0.307363
H -2.683815 -1.894980 -1.623121
H -4.252266 -1.021371 -1.629228
H 3.646191 -1.878715 0.506149
H 2.070851 -1.847334 1.343520
H 4.865233 0.146646 0.192842
H 3.926224 1.662938 -0.034224
H -2.702621 2.093640 -0.386240
H -3.906007 1.471321 -1.539790
H -3.473717 -3.339552 0.260139
H -5.040608 -2.491022 0.293068
H 4.744776 -0.837515 2.559411
H 3.180338 -0.894444 3.401057
H 3.553301 -0.902119 -1.725344
H 2.657176 0.625240 -1.916309
H -5.776558 2.547436 -0.164229
H -4.553358 3.181632 0.977285
H -4.582035 3.757757 -0.710010
H -5.505053 -3.268364 -2.099983
H -3.937849 -4.130126 -2.109841
H -5.237497 -4.652742 -1.003897
H 3.131400 -3.429420 3.161803
H 4.708246 -3.380001 2.321205
H 4.592477 -2.889364 4.034535
H 4.817127 1.838599 -2.478814
H 5.738369 0.320352 -2.264996
H 4.555268 0.470477 -3.594408


