%chk=000002650.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002650

0 1
 S    2.518600      0.2269000       2.605500    
 S   -3.047200      -3.810900     -0.8857000    
 O    1.015900       3.511000     -0.3514000    
 O    4.064600       2.268800      -2.181400    
 O    4.472900       3.712300     -0.4542000    
 O   -1.401200     -0.3828000       2.476700    
 O   -4.906400      0.2276000     -0.2330000    
 O   -7.945800       1.577100      -1.550000    
 O   -7.107300     -0.5217000      -1.445700    
 N    2.261200       1.652700      0.3852000    
 N  -0.8691000       1.113300      0.7475000    
 N    6.091200     -0.8384000     -0.3203000    
 N   -3.791500      0.7438000      0.4419000    
 N   -4.300900      -2.216300      0.7168000    
 N   -5.295900      -4.341900      0.4308000    
 C    1.575700      0.6012000       1.112500    
 C   0.4081000       1.601300       1.261500    
 C    1.203600       2.481100      0.2524000    
 C    3.566100       1.598200      1.2000000E-02
 C    4.412800      0.6976000      0.5645000    
 C    4.001700     -0.2775000       1.667800    
 C    5.858500      0.5314000      0.1641000    
 C    4.088500       2.633400     -0.9767000    
 C   -1.634900      0.1716000       1.414900    
 C   -2.908200     -0.1763000      0.6880000    
 C    6.456700      -1.781200      0.5590000    
 C    5.930300      -1.098300      -1.625000    
 C   -3.185700      -1.548000      0.2501000    
 C    6.682900      -3.081500      0.1305000    
 C    6.143400      -2.380700      -2.110100    
 C    6.523600      -3.379800      -1.219400    
 C   -5.815800       1.292900     -0.4608000    
 C   -2.385900      -2.249800     -0.6272000    
 C   -6.236700       1.853200      0.8946000    
 C   -5.115200       2.335100      -1.327500    
 C   -6.998700      0.6724000      -1.192700    
 C   -4.329700      -3.417900      0.1847000    
 H    1.358800     -0.2692000      0.4802000    
 H   0.2975000       2.088000       2.237900    
 H    4.794800     -0.3533000       2.417300    
 H    3.813700      -1.269800       1.246200    
 H   -1.227600       1.470200     -0.1355000    
 H    6.519400      0.7136000       1.020400    
 H    6.185400       1.218300     -0.6231000    
 H    6.593100      -1.490300       1.593200    
 H    5.631000     -0.2797000      -2.268000    
 H    6.985100      -3.850000      0.8339000    
 H    6.015300      -2.600400      -3.164600    
 H    6.697000      -4.390300      -1.577200    
 H   -1.474100      -1.935100      -1.115600    
 H   -5.411800       2.340000       1.426100    
 H   -6.610500       1.054600       1.546500    
 H   -7.035900       2.594700      0.7861000    
 H   -4.273100       2.814300     -0.8163000    
 H   -4.715600       1.876700      -2.239900    
 H   -5.804800       3.130900      -1.629900    
 H   -5.280000      -5.260000     -8.9999998E-04
 H   -6.071000      -4.150700       1.057200    
 H   -8.696500       1.154800      -2.019400    


%chk=000002650-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002650

0 1
S 2.559653 -1.557600 2.355070
S -5.734795 -3.487191 3.568625
O 0.490162 2.689282 1.143746
O 4.361445 2.868167 -0.599689
O 3.600345 3.367949 1.552826
O -1.709132 -1.397930 3.123521
O -4.773289 -0.110195 -0.328295
O -6.258384 1.720305 -3.102912
O -7.076676 0.061974 -1.699566
N 2.064287 0.808508 0.940607
N -1.103839 -0.109689 1.291088
N 6.295495 0.083014 -0.782203
N -3.507346 -0.135066 0.330449
N -5.665464 -2.003054 1.326239
N -7.731998 -3.164702 1.588390
C 1.471681 -0.532476 1.215979
C 0.207761 0.193821 1.800915
C 0.865342 1.519968 1.285189
C 3.410205 1.110987 0.743463
C 4.358242 0.100818 0.821776
C 4.036563 -1.345976 1.145566
C 5.811559 0.449838 0.631535
C 3.803457 2.598245 0.557185
C -2.019751 -0.848993 2.021838
C -3.408816 -0.936162 1.389315
C 6.978395 -1.090546 -0.997507
C 5.958439 0.929760 -1.819018
C -4.425943 -1.818883 1.978062
C 7.361690 -1.463508 -2.291962
C 6.324523 0.579076 -3.131150
C 7.036383 -0.615853 -3.380091
C -4.725277 0.910865 -1.439895
C -4.272452 -2.525343 3.175184
C -4.490983 2.320784 -0.858117
C -3.670126 0.511460 -2.493068
C -6.139500 0.805556 -2.039476
C -6.464156 -2.813195 1.982682
H 1.276306 -1.107063 0.295560
H 0.203261 0.134287 2.904627
H 4.882825 -1.840146 1.656805
H 3.776950 -1.950229 0.255060
H -1.463207 0.346283 0.444728
H 6.466645 -0.106427 1.326767
H 5.995664 1.529175 0.744959
H 7.200683 -1.696808 -0.116313
H 5.340826 1.817795 -1.513890
H 7.908776 -2.397787 -2.439446
H 6.050728 1.256680 -3.943704
H 7.335066 -0.885175 -4.397719
H -3.405410 -2.528246 3.829536
H -3.501777 2.357589 -0.372614
H -5.258968 2.564894 -0.104284
H -4.528985 3.073881 -1.661925
H -2.666880 0.552876 -2.038223
H -3.850727 -0.514650 -2.856968
H -3.708440 1.207058 -3.347058
H -8.313165 -3.794125 2.132024
H -8.092455 -2.740619 0.735219
H -7.175014 1.653941 -3.484943


