%chk=000148672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148672

1 1
 S   -2.681900      -2.082500     -0.8011000    
 S    2.411000      -1.942700      0.3009000    
 N   -3.607300      0.1684000     -0.2004000    
 N    3.674100      0.3192000     -0.3321000    
 C   -4.693800     -0.6756000     -0.1410000    
 C    4.635500     -0.6055000      9.7800002E-02
 C   -3.714100       1.583900      8.2800001E-02
 C    3.948200       1.685100     -0.7496000    
 C   -2.496000     -0.4189000     -0.5301000    
 C    2.394200     -0.2428000     -0.2491000    
 C   -6.029700     -0.2759000      0.1972000    
 C    6.062300     -0.2859000      0.1894000    
 C   -4.362000      -1.973700     -0.4482000    
 C    4.152300      -1.813300      0.4509000    
 C   -1.226200      0.2326000     -0.6602000    
 C    1.211300      0.3321000     -0.5158000    
 C   -4.025500       2.376400      -1.172400    
 C    3.852600       2.623400      0.4381000    
 C  -5.1199999E-02 -0.3585000     -0.3891000    
 C   -6.449600     -0.2983000       1.527800    
 C   -6.910200      0.1356000     -0.8041000    
 C    6.908300     -0.5274000     -0.8969000    
 C    6.586400      0.2624000       1.363600    
 C   -7.748400      9.0000004E-02   1.856600    
 C   -8.209000      0.5240000     -0.4751000    
 C    8.266800     -0.2233000     -0.8098000    
 C    7.945000      0.5666000       1.450600    
 C   -8.627900      0.5011000      0.8553000    
 C    8.785100      0.3236000      0.3639000    
 H   -4.490500       1.764500      0.8341000    
 H   -2.792200       1.954300      0.5457000    
 H    4.943500       1.766900      -1.201200    
 H    3.249800       2.002100      -1.532900    
 H   -4.993600      -2.850600     -0.4859000    
 H    4.744900      -2.643500      0.8121000    
 H   -1.226000       1.271300     -0.9798000    
 H    1.170900       1.366800     -0.8447000    
 H   -4.974500       2.072100      -1.620000    
 H   -3.248600       2.243400      -1.931300    
 H   -4.090700       3.443600     -0.9386000    
 H    2.852000       2.605300      0.8823000    
 H    4.567200       2.362300       1.223300    
 H    4.060900       3.651000      0.1235000    
 H  -6.9100000E-02  -1.384100     -4.2599998E-02
 H   -5.775900     -0.6150000       2.320600    
 H   -6.601900      0.1549000      -1.846600    
 H    6.519800     -0.9522000      -1.819600    
 H    5.946400      0.4546000       2.221500    
 H   -8.074700      7.2600000E-02   2.892300    
 H   -8.894400      0.8433000      -1.254700    
 H    8.921000     -0.4120000      -1.656000    
 H    8.348900      0.9918000       2.364800    
 H   -9.639200      0.8034000       1.111300    
 H    9.842800      0.5603000      0.4318000    


%chk=000148672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148672

1 1
S -2.680727 -2.147144 0.512868
S 2.680428 -2.136144 0.557803
N -3.740489 0.214799 0.038524
N 3.739786 0.186844 -0.082871
C -4.854395 -0.649324 0.272715
C 4.854255 -0.681239 0.130953
C -3.884923 1.680906 -0.197124
C 3.893035 1.653969 -0.309427
C -2.494081 -0.386451 0.123788
C 2.492643 -0.394151 0.090421
C -6.263046 -0.174322 0.252622
C 6.262808 -0.236653 -0.036741
C -4.469751 -1.937457 0.548431
C 4.471473 -1.950777 0.482926
C -1.247595 0.257029 -0.034816
C 1.246041 0.251869 -0.054512
C -3.681764 2.091385 -1.669147
C 3.756528 2.465284 0.993988
C -0.000777 -0.381115 0.112906
C -7.047178 -0.289601 1.431620
C -6.860280 0.335995 -0.932098
C 6.748328 0.197666 -1.300976
C 7.153620 -0.300962 1.066733
C -8.402159 0.108269 1.427932
C -8.213628 0.735037 -0.930474
C 8.100739 0.571274 -1.451201
C 8.507442 0.070467 0.910334
C -8.987068 0.624722 0.249186
C 8.982410 0.511205 -0.345944
H -4.895221 1.960279 0.141128
H -3.163808 2.199493 0.460196
H 4.888588 1.814474 -0.748880
H 3.148811 1.965588 -1.062622
H -5.109695 -2.794925 0.735842
H 5.110358 -2.810889 0.661818
H -1.253664 1.321736 -0.292705
H 1.252049 1.315097 -0.319681
H -4.443265 1.634429 -2.322454
H -2.688069 1.801317 -2.050500
H -3.776329 3.188023 -1.756390
H 2.775681 2.313302 1.476413
H 4.544856 2.185294 1.713622
H 3.868158 3.540722 0.770435
H -0.000913 -1.450514 0.377857
H -6.590876 -0.681167 2.347466
H -6.281566 0.385502 -1.860956
H 6.081158 0.206890 -2.171174
H 6.783691 -0.635601 2.042277
H -8.997620 0.016636 2.342006
H -8.667831 1.117517 -1.850293
H 8.469109 0.894733 -2.430126
H 9.187682 0.017025 1.766476
H -10.037925 0.932128 0.246777
H 10.032069 0.798731 -0.465651


