%chk=000037300.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037300

0 1
 S   -1.558500       1.513600      -1.149500    
 O    3.679400      -2.691500     -0.8497000    
 N    2.313700     -0.8639000     -0.7909000    
 N    1.857400       3.741200      -1.272300    
 C    1.035500      0.9490000     -0.4047000    
 C   0.1205000       2.086600     -0.6290000    
 C    1.621100      0.5650000      0.8233000    
 C    2.414800     -0.5632000      0.5738000    
 C    1.469900      7.0000000E-02  -1.365000    
 C   0.5809000       3.145800      -1.666600    
 C    1.542100       1.085100       2.132200    
 C    3.132300      -1.179300       1.617800    
 C   -1.930500      0.5325000      0.3166000    
 C    2.952100      -1.924400      -1.464200    
 C    2.254500      0.4711000       3.163900    
 C    3.038700     -0.6459000       2.907600    
 C   -3.285800     -0.1145000      0.2377000    
 C    2.677100      -2.029900      -2.934800    
 C   -3.409600      -1.379200     -0.3223000    
 C   -4.396800      0.5607000      0.7262000    
 C   -4.666600      -1.979400     -0.3954000    
 C   -5.653700     -3.9600000E-02  0.6531000    
 C   -5.788600      -1.309700      9.2299998E-02
 H  -4.0600002E-02   2.625500      0.3129000    
 H    1.239300      4.1700002E-02  -2.421200    
 H   0.7040000       2.693800      -2.657900    
 H  -0.1623000       3.947500      -1.753000    
 H   0.9333000       1.957800       2.351300    
 H    3.753500      -2.052400       1.452600    
 H   -1.880100       1.170500       1.206800    
 H   -1.186300     -0.2589000      0.4524000    
 H    2.193900      0.8708000       4.172300    
 H    3.588500      -1.114500       3.719800    
 H    1.757400       4.192500     -0.3639000    
 H    2.104200       4.477300      -1.932500    
 H    3.025400      -1.134900      -3.457400    
 H    1.612600      -2.200500      -3.116700    
 H    3.226900      -2.887200      -3.336400    
 H   -2.542800      -1.909900     -0.7066000    
 H   -4.303600       1.550500       1.164300    
 H   -4.771800      -2.968100     -0.8324000    
 H   -6.527600      0.4819000       1.032700    
 H   -6.767400      -1.776900      3.5300002E-02


%chk=000037300-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037300

0 1
S -1.643106 1.743970 -0.928948
O 3.285635 -2.928853 -0.850735
N 2.033646 -0.977479 -0.594169
N 1.820926 3.922615 -0.315694
C 0.976550 1.006186 -0.085265
C 0.042965 2.191699 -0.137310
C 2.058317 0.792775 0.880762
C 2.701994 -0.446384 0.551896
C 0.992444 -0.073999 -0.950635
C 0.605794 3.390266 -0.953870
C 2.518256 1.549385 1.986588
C 3.785990 -0.952082 1.298657
C -2.332775 0.668014 0.502628
C 2.343722 -2.193469 -1.253406
C 3.598797 1.048918 2.742901
C 4.221298 -0.183851 2.402357
C -3.519397 -0.135285 0.028469
C 1.484323 -2.545611 -2.459511
C -3.343906 -1.445916 -0.487044
C -4.829926 0.405837 0.083936
C -4.451262 -2.201057 -0.931760
C -5.939555 -0.345332 -0.363855
C -5.753769 -1.651801 -0.872515
H -0.167978 2.558416 0.883831
H 0.319479 -0.274799 -1.779442
H 0.748611 3.058668 -2.009063
H -0.159421 4.187577 -0.958252
H 2.055288 2.511380 2.226924
H 4.260591 -1.896268 1.028377
H -2.599628 1.357328 1.320693
H -1.500766 0.018422 0.822326
H 3.969006 1.617785 3.602981
H 5.060067 -0.548239 3.005839
H 2.021652 4.902634 -0.527448
H 2.646916 3.322563 -0.391269
H 1.560479 -1.776264 -3.248947
H 0.418181 -2.643885 -2.185156
H 1.840734 -3.505700 -2.859120
H -2.334463 -1.873726 -0.531768
H -4.977469 1.418720 0.477883
H -4.301501 -3.214888 -1.319950
H -6.946044 0.085015 -0.313296
H -6.614296 -2.236683 -1.216119


