%chk=000099399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099399

0 1
 S  -4.9300000E-02 -0.7099000      -2.685700    
 P  -4.0000002E-03 -0.5066000     -0.7559000    
 C    1.646500     -0.3215000     -4.8200000E-02
 C  -0.8797000      0.9195000     -0.1093000    
 C  -0.6908000      -1.874000      0.1805000    
 C    2.276700       1.041400     -0.3044000    
 C   -2.390300      0.8494000     -0.2930000    
 C   0.1050000      -3.165800      4.8400000E-02
 C    3.646000       1.244300      0.3500000    
 C   -3.162300       2.022400      0.3173000    
 C  -0.5415000      -4.322100      0.8107000    
 C    4.242300       2.630100      0.1012000    
 C   -4.677400       1.912400      0.1441000    
 C   0.2793000      -5.596500      0.6862000    
 C    5.594500       2.782100      0.7812000    
 C   -5.395000       3.094900      0.7769000    
 H    2.299900      -1.108700     -0.4408000    
 H    1.574700     -0.4772000       1.034700    
 H  -0.5116000       1.827900     -0.5988000    
 H  -0.6545000       1.016000      0.9591000    
 H  -0.7454000      -1.589900       1.237900    
 H   -1.718500      -2.054200     -0.1542000    
 H    2.365800       1.199900      -1.385400    
 H    1.613300       1.828800      6.6799998E-02
 H   -2.622200      0.7870000      -1.362500    
 H   -2.768800     -7.5300001E-02  0.1551000    
 H   0.1994000      -3.435900      -1.009400    
 H    1.122800      -3.011700      0.4231000    
 H    4.336700      0.4792000     -2.5699999E-02
 H    3.551700       1.081000       1.430900    
 H   -2.811400       2.955900     -0.1400000    
 H   -2.925400       2.086200       1.386700    
 H  -0.6404000      -4.060200       1.870500    
 H   -1.551200      -4.504200      0.4249000    
 H    3.560100       3.400900      0.4779000    
 H    4.357600       2.796100     -0.9760000    
 H   -5.037000      0.9842000      0.6025000    
 H   -4.926200       1.866000     -0.9224000    
 H   0.3718000      -5.902800     -0.3607000    
 H    1.285500      -5.456800       1.094000    
 H  -0.2005000      -6.411300       1.237500    
 H    6.308700       2.043300      0.4036000    
 H    5.505700       2.652400       1.864600    
 H    6.004100       3.779000      0.5908000    
 H   -5.078500       4.037200      0.3183000    
 H   -5.190400       3.149200       1.850900    
 H   -6.476800       2.997800      0.6417000    


%chk=000099399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099399

0 1
S -0.013128 -0.454637 -2.253924
P -0.025768 -0.386691 -0.141705
C 1.677222 -0.027573 0.607618
C -1.177489 0.948575 0.551001
C -0.598141 -2.008588 0.651593
C 2.386879 1.170569 -0.053634
C -2.603450 0.875724 -0.030373
C 0.167348 -3.240158 0.127823
C 3.841832 1.333942 0.444952
C -3.474448 2.074821 0.412311
C -0.436215 -4.566594 0.647917
C 4.566760 2.533466 -0.207872
C -4.914495 2.007787 -0.146686
C 0.337873 -5.802627 0.141036
C 6.025554 2.686309 0.273834
C -5.781014 3.209843 0.286796
H 2.274515 -0.948042 0.467876
H 1.535327 0.129471 1.695280
H -0.710403 1.917937 0.295016
H -1.179706 0.847139 1.654535
H -0.494957 -1.898777 1.749416
H -1.674459 -2.099826 0.414278
H 2.377595 1.023984 -1.152006
H 1.823812 2.105074 0.145577
H -2.533575 0.845468 -1.135945
H -3.095200 -0.067824 0.283197
H 0.148234 -3.225964 -0.980020
H 1.233580 -3.184630 0.428104
H 4.408112 0.404134 0.228294
H 3.852432 1.457471 1.548503
H -2.996287 3.018094 0.075337
H -3.515281 2.122318 1.521026
H -0.445734 -4.562446 1.757251
H -1.494914 -4.633570 0.324980
H 4.003656 3.463587 0.011415
H 4.548942 2.411808 -1.309604
H -5.392499 1.065000 0.189354
H -4.872319 1.958262 -1.253303
H 0.337700 -5.842589 -0.964084
H 1.392253 -5.775743 0.475265
H -0.111333 -6.740998 0.514519
H 6.617520 1.781822 0.037998
H 6.069075 2.839156 1.368983
H 6.521842 3.549049 -0.207224
H -5.340600 4.162640 -0.063113
H -5.863157 3.263597 1.389060
H -6.804489 3.140128 -0.125052


