%chk=000048993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048993

0 1
 S    1.406200      -2.004300      -1.152000    
 O   0.7649000       1.287600      0.2143000    
 O    1.633400       1.563800      -1.890200    
 N   -2.521500      0.1941000      0.3874000    
 C   -2.840600      -1.222800      0.6476000    
 C   -3.493500      -1.844200     -0.6020000    
 C   -3.687600      0.9906000     -1.0600000E-02
 C   -4.712200      -1.058400      -1.076500    
 C   -4.357100      0.4120000      -1.257300    
 C   -1.801200      0.8309000       1.486400    
 C   -3.692000      -1.483200       1.900000    
 C   -1.283200       2.199800       1.056900    
 C  -0.3500000       2.093300     -0.1416000    
 C    1.710100       1.089300     -0.7616000    
 C    2.804200      0.2463000     -0.2773000    
 C    2.779300      -1.140600     -0.3966000    
 C    3.891100      0.8820000      0.3173000    
 C    3.849100      -1.897300      8.1900001E-02
 C    4.960700      0.1253000      0.7958000    
 C    4.939700      -1.264300      0.6782000    
 H   -1.891400      -1.756300      0.7931000    
 H   -3.778500      -2.884900     -0.4075000    
 H   -2.753800      -1.872200      -1.413500    
 H   -3.418400       2.012800     -0.2881000    
 H   -4.417200       1.064300      0.8049000    
 H   -5.528400      -1.156100     -0.3515000    
 H   -5.077100      -1.472600      -2.023000    
 H   -3.682100      0.5184000      -2.116500    
 H   -5.262200      0.9838000      -1.491900    
 H   -2.443000      0.9605000       2.366400    
 H  -0.9559000      0.2050000       1.797900    
 H   -3.904200      -2.553700       1.999300    
 H   -3.166100      -1.178000       2.810300    
 H   -4.651800     -0.9592000       1.872100    
 H   -2.077500       2.928700      0.8744000    
 H  -0.7086000       2.602100       1.902400    
 H   7.1000000E-03   3.097500     -0.3995000    
 H  -0.8574000       1.674500      -1.017600    
 H    3.919600       1.964300      0.4149000    
 H    3.858200      -2.981500      8.9999998E-04
 H    5.810000      0.6180000       1.260000    
 H    5.772900      -1.853200       1.050400    
 H    1.657000      -3.213800     -0.6293000    


%chk=000048993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048993

0 1
S 3.764105 -1.196505 -2.822666
O 0.877245 1.058566 -0.123459
O 1.583370 0.393029 -2.240174
N -2.819773 0.505603 0.381344
C -2.975493 -0.926829 0.780284
C -3.826769 -1.660781 -0.288248
C -4.103523 1.219040 0.179999
C -5.185809 -0.965311 -0.536848
C -4.961857 0.521055 -0.895679
C -1.838578 1.265027 1.189716
C -3.528022 -1.142648 2.220933
C -1.114605 2.356185 0.363475
C -0.270482 1.773414 -0.767234
C 1.747200 0.397842 -0.991319
C 2.863176 -0.277696 -0.277708
C 3.841677 -1.030813 -0.998566
C 2.967644 -0.174128 1.138189
C 4.891033 -1.658006 -0.275785
C 4.011685 -0.798306 1.841693
C 4.977608 -1.545305 1.124916
H -1.955976 -1.362551 0.752263
H -3.978704 -2.711903 0.024839
H -3.253102 -1.674808 -1.235360
H -3.880611 2.253676 -0.141002
H -4.692392 1.302156 1.130257
H -5.824870 -1.037839 0.366343
H -5.730301 -1.480660 -1.350820
H -4.434900 0.588126 -1.867519
H -5.929028 1.050238 -0.999113
H -2.306326 1.742160 2.086105
H -1.076636 0.556207 1.565063
H -3.518833 -2.219773 2.471369
H -2.902914 -0.619297 2.967649
H -4.565549 -0.780682 2.333471
H -1.854513 3.046963 -0.085976
H -0.474353 2.962917 1.032832
H 0.142193 2.548520 -1.437683
H -0.851082 1.046180 -1.361353
H 2.208682 0.411635 1.663084
H 5.648543 -2.239054 -0.814734
H 4.077319 -0.706666 2.930483
H 5.799743 -2.039562 1.654175
H 4.904778 -2.001114 -2.878536


