%chk=000059183.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059183

0 1
 S    3.739500      -2.012400      0.4180000    
 O   -6.112800     -0.8881000     -0.1236000    
 O   -4.251600      -1.994500      0.5678000    
 N   -2.035200     -0.7038000     -0.4364000    
 N   -2.153400       1.662500     -0.3451000    
 C  -0.6750000      -1.015400     -0.2323000    
 C    2.017700      -1.626100      0.1669000    
 C   -2.786800      0.4691000     -0.2282000    
 C  -4.6799999E-02  -1.961000      -1.042700    
 C   4.3099999E-02 -0.3751000      0.7778000    
 C    1.299400      -2.266400     -0.8431000    
 C    1.389500     -0.6804000      0.9774000    
 C   -4.134700      0.3464000      8.7600000E-02
 C    4.497200     -0.4155000      0.1558000    
 C   -4.870300       1.508100      0.2941000    
 C   -4.249000       2.747000      0.1813000    
 C    4.347500      0.2298000      -1.069200    
 C    5.234500      0.1780000       1.177500    
 C   -2.900700       2.769800     -0.1372000    
 C   -4.794700     -0.9463000      0.2080000    
 C    4.939000       1.476400      -1.274000    
 C    5.825600       1.424600      0.9728000    
 C    5.677900       2.073700     -0.2531000    
 H   -2.529500      -1.403200     -0.9840000    
 H  -0.5946000      -2.465800      -1.834400    
 H  -0.4277000      0.3551000       1.430500    
 H    1.772600      -3.004900      -1.485600    
 H    1.926500     -0.1747000       1.776100    
 H   -5.924500       1.480800      0.5560000    
 H   -4.801500       3.665800      0.3409000    
 H    3.781400     -0.2194000      -1.881400    
 H    5.359500     -0.3131000       2.139300    
 H   -2.369000       3.710400     -0.2357000    
 H    4.825400       1.981300      -2.228900    
 H    6.401000       1.890100       1.767700    
 H    6.138600       3.044200     -0.4125000    
 H   -6.549600      -1.762500     -3.9000001E-02


%chk=000059183-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059183

0 1
S 3.762141 -1.780124 0.828425
O -6.325210 -0.936002 -1.061878
O -4.280821 -2.021141 -1.072697
N -2.151446 -0.661960 -0.132327
N -2.507202 1.565052 0.632977
C -0.760789 -0.813936 0.101180
C 2.006133 -1.340476 0.490576
C -3.003346 0.398188 0.096021
C -0.195582 -2.061745 -0.288376
C 0.081002 0.172104 0.688815
C 1.175560 -2.319546 -0.104340
C 1.448030 -0.103984 0.890348
C -4.415126 0.267698 -0.236841
C 4.696133 -0.310451 0.214712
C -5.265705 1.375877 0.007187
C -4.745108 2.561195 0.554221
C 4.280704 0.445751 -0.906655
C 5.907880 0.001723 0.877179
C -3.358620 2.597029 0.846284
C -4.950817 -0.972107 -0.808458
C 5.078595 1.522059 -1.355857
C 6.707694 1.069181 0.409425
C 6.295391 1.835792 -0.705074
H -2.636040 -1.482072 -0.543694
H -0.832383 -2.828405 -0.746665
H -0.353387 1.126704 0.986493
H 1.600776 -3.275610 -0.425926
H 2.084380 0.653145 1.360496
H -6.326332 1.281744 -0.240824
H -5.378147 3.429654 0.751547
H 3.345959 0.199639 -1.420799
H 6.217911 -0.578094 1.753428
H -2.903446 3.498755 1.273533
H 4.751513 2.107703 -2.222453
H 7.645533 1.305493 0.924506
H 6.912668 2.667664 -1.061338
H -6.599996 -1.811996 -1.444051


