%chk=000178627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178627

0 1
 S   -1.067900      -1.366800     -0.8404000    
 S    2.261700     -0.6648000     -0.4960000    
 S  -9.3300000E-02   1.451600      0.8729000    
 P   0.3728000     -0.5525000      0.4285000    
 O   0.3941000      -1.356600       1.704100    
 O  -0.6690000      -2.812100     -0.7988000    
 C   -2.568100      -1.191900      0.1502000    
 C   -3.702100      -2.049400     -0.3975000    
 C   -4.969800      -1.887300      0.4409000    
 C    3.432300      2.0300001E-02  0.6926000    
 C  -9.5899999E-02   2.330000     -0.7019000    
 C    4.872700      1.7700000E-02  0.1815000    
 C  -0.4207000       3.816400     -0.5560000    
 C    5.420300      -1.382500     -0.1079000    
 C   -1.813600       4.088300      1.8500000E-02
 C   -6.119200      -2.708400     -0.1214000    
 C    6.885200      -1.330100     -0.5149000    
 C   -2.119400       5.578300      4.5699999E-02
 H   -2.847500     -0.1340000      0.1476000    
 H   -2.336300      -1.484600       1.179000    
 H   -3.405300      -3.105600     -0.4092000    
 H   -3.910300      -1.768700      -1.437700    
 H   -4.775300      -2.198600       1.473800    
 H   -5.264800     -0.8319000      0.4700000    
 H    3.134900       1.048700      0.9197000    
 H    3.363400     -0.5548000       1.621800    
 H   0.8914000       2.222100      -1.161400    
 H  -0.8226000       1.854500      -1.368500    
 H    4.948800      0.6386000     -0.7203000    
 H    5.503300      0.4972000      0.9410000    
 H  -0.3479000       4.278800      -1.548600    
 H   0.3388000       4.303800      6.8499997E-02
 H    4.857400      -1.864100     -0.9141000    
 H    5.318400      -2.012500      0.7834000    
 H   -1.898200       3.702000       1.039500    
 H   -2.571200       3.577900     -0.5876000    
 H   -7.014700      -2.578300      0.4942000    
 H   -6.361000      -2.397100      -1.142700    
 H   -5.869100      -3.774100     -0.1367000    
 H    7.258800      -2.338800     -0.7166000    
 H    7.498400     -0.8940000      0.2802000    
 H    7.019100     -0.7304000      -1.420900    
 H   -3.118100       5.752800      0.4580000    
 H   -2.089700       6.003800     -0.9625000    
 H   -1.396100       6.115600      0.6675000    


%chk=000178627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178627

0 1
S -1.527470 0.005519 -1.066066
S 2.121053 1.166956 -0.370223
S -0.593374 3.406239 0.990284
P 0.061613 1.197167 0.721979
O 0.080897 0.381449 2.109650
O -0.441360 -0.755740 -2.069954
C -2.038132 -1.353305 0.248058
C -2.046113 -2.734349 -0.411502
C -2.166961 -3.863525 0.643004
C 3.025858 0.029479 0.877647
C -0.012969 4.085394 -0.700886
C 3.219214 -1.401287 0.352388
C -0.028994 5.624485 -0.659486
C 1.908886 -2.203022 0.196382
C -1.430902 6.246435 -0.464325
C -2.169839 -5.262256 -0.011047
C 2.164201 -3.663049 -0.235870
C -1.395660 7.788979 -0.496248
H -3.028637 -1.009887 0.594009
H -1.308341 -1.275854 1.075115
H -1.109055 -2.864147 -0.987122
H -2.878907 -2.811139 -1.137486
H -1.321208 -3.787503 1.355550
H -3.093036 -3.728396 1.236865
H 3.986008 0.546870 1.047684
H 2.432581 0.046277 1.810912
H 1.009028 3.704195 -0.868763
H -0.694333 3.696152 -1.475999
H 3.760907 -1.379209 -0.613715
H 3.884289 -1.921880 1.075662
H 0.394500 5.978329 -1.622723
H 0.654428 5.980729 0.135952
H 1.267800 -1.705065 -0.557172
H 1.358698 -2.184643 1.159193
H -1.855561 5.903386 0.500001
H -2.110068 5.869795 -1.255798
H -2.246517 -6.059618 0.750353
H -3.021629 -5.375829 -0.707361
H -1.240500 -5.430877 -0.587065
H 1.214305 -4.219225 -0.346064
H 2.786368 -4.201577 0.504508
H 2.687832 -3.701279 -1.209730
H -2.405186 8.216417 -0.357962
H -1.001369 8.158849 -1.461713
H -0.747649 8.188060 0.306580


