%chk=000096609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096609

0 1
 S    3.188600     -0.8406000      1.5000000E-03
 O   -2.287000      -2.467200     -2.3000001E-03
 O   -3.598700       1.985600     -3.9999999E-04
 N   0.5536000      -1.399800      2.3000001E-03
 N   -1.337000       1.529300      8.9999998E-04
 N   0.9980000      0.7912000      3.8999999E-03
 N   -2.935500     -0.2356000     -2.6000000E-03
 C  -0.6543000     -0.7655000      5.0000002E-04
 C  -0.3477000      0.5710000      1.6000000E-03
 C    1.517000     -0.4209000      4.3000001E-03
 C   -1.990200      -1.276800     -1.5000000E-03
 C   -2.685000       1.158100     -1.3000000E-03
 C    4.036400      0.7789000     -2.0999999E-03
 C    5.541700      0.5923000     -4.9000001E-03
 H   0.7148000      -2.398300      1.6000000E-03
 H   -1.064500       2.506600      2.3000001E-03
 H   -3.912700     -0.5151000     -3.8000001E-03
 H    3.729900       1.341200     -0.8898000    
 H    3.733300       1.343200      0.8856000    
 H    5.880700      4.9899999E-02  0.8842000    
 H    5.877100      4.7699999E-02 -0.8940000    
 H    6.038500       1.568100     -7.0000002E-03


%chk=000096609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096609

0 1
S 3.303017 -0.966873 -0.001516
O -2.437858 -2.492809 0.001258
O -3.578224 2.079462 0.000461
N 0.557233 -1.498527 -0.000680
N -1.297153 1.530632 -0.000594
N 1.053039 0.729994 -0.001491
N -2.940227 -0.183557 0.000714
C -0.669416 -0.815660 -0.000355
C -0.322216 0.543757 -0.000795
C 1.559411 -0.536447 -0.001328
C -2.030162 -1.292700 0.000621
C -2.668414 1.207624 0.000216
C 4.039008 0.789832 -0.002393
C 5.568641 0.675223 -0.002459
H 0.664880 -2.512718 -0.000398
H -1.051310 2.522052 -0.000964
H -3.937894 -0.419435 0.001342
H 3.650069 1.299009 -0.897542
H 3.650210 1.299829 0.892347
H 5.939354 0.147441 0.894071
H 5.939243 0.146612 -0.898548
H 6.005768 1.690563 -0.002966


