%chk=000081712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081712

0 1
 S    8.551000     -9.7999997E-02 -0.5070000    
 C  -0.5789000      0.4308000      0.2592000    
 C   -1.835000     -0.3127000     -0.2015000    
 C   0.7176000     -0.1769000     -0.2854000    
 C   -3.134600      0.3305000      0.2940000    
 C    1.975600      0.5515000      0.1938000    
 C   -4.429400     -0.3180000     -0.2079000    
 C    3.242600     -0.1125000     -0.3523000    
 C   -5.728200      0.2825000      0.3399000    
 C    4.498700      0.6353000      0.1009000    
 C   -6.986500     -0.3721000     -0.2354000    
 C    5.802000     -2.8100001E-02 -0.3583000    
 C   -8.282400      0.2255000      0.3186000    
 C    7.047800      0.7409000      7.4800000E-02
 C   -9.536800     -0.4363000     -0.2308000    
 C    8.676600      -1.342500      0.7973000    
 H  -0.5451000      0.4332000       1.355600    
 H  -0.6421000       1.478900     -5.8100000E-02
 H   -1.792000      -1.352300      0.1453000    
 H   -1.850700     -0.3446000      -1.297800    
 H   0.6871000     -0.1644000      -1.382000    
 H   0.7724000      -1.229700      1.8100001E-02
 H   -3.142200       1.387800      9.9999997E-05
 H   -3.136300      0.3150000       1.391300    
 H    1.936600       1.598300     -0.1306000    
 H    2.003500      0.5527000       1.290100    
 H   -4.445200     -0.2578000      -1.303500    
 H   -4.404900      -1.386200      4.2300001E-02
 H    3.207700     -0.1363000      -1.448100    
 H    3.289800      -1.152200     -6.6999998E-03
 H   -5.747100       1.356300      0.1171000    
 H   -5.734300      0.1853000       1.432300    
 H    4.503800      0.7051000       1.195900    
 H    4.463800       1.663000     -0.2817000    
 H   -6.980800     -0.2698000      -1.327500    
 H   -6.964100      -1.447100     -1.7600000E-02
 H    5.782900     -0.1150000      -1.452300    
 H    5.825300      -1.048400      4.2800002E-02
 H   -8.285800      0.1357000       1.411400    
 H   -8.316200       1.296900      8.7399997E-02
 H    7.033500       1.742000     -0.3692000    
 H    7.083300      0.8674000       1.161700    
 H   -9.586500     -0.3347000      -1.319500    
 H   -10.43070      2.8500000E-02  0.1966000    
 H   -9.555400      -1.502600      1.5900001E-02
 H    9.585200      -1.930600      0.6409000    
 H    7.822500      -2.023300      0.7731000    
 H    8.742100     -0.8660000       1.779000    


%chk=000081712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081712

0 1
S 8.743192 0.029027 -0.454698
C -0.609917 0.496766 0.244743
C -1.878595 -0.250108 -0.225347
C 0.702428 -0.163887 -0.233952
C -3.191678 0.409086 0.253364
C 1.971501 0.585989 0.230335
C -4.459869 -0.337070 -0.219253
C 3.282465 -0.074955 -0.251827
C -5.773455 0.319513 0.262079
C 4.552048 0.679764 0.204782
C -7.041519 -0.426940 -0.210565
C 5.858427 0.011581 -0.288733
C -8.355220 0.227686 0.274561
C 7.114689 0.774679 0.164330
C -9.616544 -0.523434 -0.204370
C 8.799770 -1.525940 0.606120
H -0.608204 0.554041 1.353552
H -0.646418 1.544958 -0.119642
H -1.841779 -1.298721 0.137880
H -1.880422 -0.306343 -1.334205
H 0.698263 -0.224440 -1.342531
H 0.740554 -1.210975 0.133431
H -3.228119 1.458187 -0.108476
H -3.190902 0.463774 1.362328
H 1.932385 1.633001 -0.136983
H 1.976759 0.646142 1.338956
H -4.461878 -0.389722 -1.328299
H -4.422206 -1.386874 0.140454
H 3.274101 -0.139134 -1.359884
H 3.324045 -1.120344 0.119625
H -5.811548 1.369400 -0.097444
H -5.771524 0.371827 1.371201
H 4.561974 0.743218 1.313163
H 4.509618 1.724783 -0.167334
H -7.046704 -0.476903 -1.319783
H -7.003639 -1.477689 0.146496
H 5.851813 -0.049533 -1.394494
H 5.896775 -1.031206 0.085315
H -8.350115 0.275833 1.382810
H -8.391261 1.277810 -0.081162
H 7.119955 1.803610 -0.238501
H 7.174439 0.839133 1.266716
H -9.661632 -0.556904 -1.309491
H -10.541421 -0.036980 0.156921
H -9.618316 -1.567687 0.161753
H 9.783064 -1.988434 0.426764
H 8.004673 -2.231735 0.319379
H 8.710150 -1.258852 1.672118


