%chk=000002625.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002625

-1 1
 S   0.5590000     -0.2367000      -2.118900    
 S   -3.967200     -0.1668000     -0.7053000    
 S    6.397400       1.391100     -0.4321000    
 O    2.363700      -2.519100      -1.204100    
 O    1.309200      -2.554900       1.842600    
 O    4.614700     -0.7249000      -1.857400    
 O   -2.090100      -1.941700       1.827300    
 O   -1.320400     -0.1098000       2.961000    
 N   0.5172000     -0.8122000      0.4697000    
 N    3.660200      -1.032500      0.2354000    
 N   -6.705800      0.2276000     -0.7106000    
 N   -5.621900       1.846400      0.2420000    
 N   -7.646100       1.098100     -0.3176000    
 N   -6.977300       2.085900      0.2648000    
 N    5.454100       4.898900      0.3013000    
 C    1.407400     -0.2436000     -0.5235000    
 C    2.333500      -1.448100     -0.2396000    
 C    1.359300      -1.758700      0.9347000    
 C  -0.7484000     -0.3796000      0.7006000    
 C   -1.381000      0.4307000     -0.1791000    
 C  -0.7874000      0.8433000      -1.523700    
 C   -2.776100      0.9809000      4.6999999E-03
 C    4.696300     -0.7036000     -0.6302000    
 C   -1.460100     -0.8601000       1.960200    
 C    2.779100      -3.780400     -0.7025000    
 C    5.961900     -0.2878000      8.0300003E-02
 C   -5.476500      0.6913000     -0.3655000    
 C    5.254300       2.302700      0.6321000    
 C   -7.076900     -0.9868000      -1.391800    
 C    5.367900       3.750500      0.4451000    
 H    1.810100      0.7316000     -0.2225000    
 H    3.837400     -0.9770000       1.235500    
 H  -0.4119000       1.870000      -1.452300    
 H   -1.553200      0.8259000      -2.305700    
 H   -2.861700       1.965600     -0.4695000    
 H   -3.000100       1.128500       1.066500    
 H    3.035600      -4.417100      -1.553600    
 H    1.961300      -4.256800     -0.1553000    
 H    3.661000      -3.691100     -6.1900001E-02
 H    6.757600     -0.9729000     -0.2295000    
 H    5.877400     -0.3505000       1.168700    
 H    4.229200       1.990200      0.4100000    
 H    5.465300       2.052200       1.676700    
 H   -6.734400      -1.837400     -0.7977000    
 H   -8.164100      -1.027300      -1.500000    
 H   -6.608800     -0.9888000      -2.379100    


%chk=000002625-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002625

-1 1
S -0.012452 -1.059200 -2.569604
S -3.784579 0.612963 0.644824
S 4.246002 2.036266 0.630297
O 2.299496 -2.810465 -1.674203
O 1.588317 -2.207097 1.564359
O 4.120166 0.265215 -2.404970
O -1.554708 0.883297 2.405682
O 0.779442 0.967596 2.448133
N 0.786532 -0.487397 0.006777
N 3.694907 -1.122689 -0.560365
N -6.150036 -0.038790 -0.692829
N -4.683941 0.918311 -2.069502
N -6.765130 0.006581 -1.970332
N -5.861346 0.590130 -2.777458
N 5.184119 1.810330 4.294888
C 1.343736 -0.526662 -1.368031
C 2.344521 -1.621826 -0.879603
C 1.527677 -1.570422 0.491278
C -0.312707 0.297681 0.414871
C -1.193775 0.727748 -0.553179
C -1.123479 0.398527 -2.041068
C -2.339752 1.621569 -0.178943
C 4.349978 -0.072224 -1.209632
C -0.372633 0.736223 1.896003
C 2.933744 -3.980173 -1.041283
C 5.285442 0.722954 -0.296527
C -4.892202 0.518880 -0.774904
C 3.714304 1.085927 2.205035
C -6.833032 -0.620849 0.458989
C 4.522744 1.482082 3.354526
H 1.775833 0.425628 -1.702639
H 4.000877 -1.339181 0.393191
H -0.791239 1.287866 -2.609729
H -2.132384 0.137523 -2.409802
H -2.795459 2.115092 -1.051828
H -2.093153 2.331828 0.620562
H 2.788287 -4.806026 -1.753786
H 2.451249 -4.217933 -0.075114
H 4.017379 -3.806256 -0.889738
H 6.003331 1.293712 -0.903314
H 5.824705 0.114539 0.449452
H 2.613397 1.246266 2.342394
H 3.828262 0.003469 2.023512
H -6.887324 0.111695 1.283041
H -7.848547 -0.901364 0.142869
H -6.295875 -1.516145 0.817898


