%chk=000059852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059852

0 1
 S    5.138300     -0.3649000      8.2999997E-02
 S  -0.2795000      -1.523400      0.4082000    
 O    5.902400      0.8308000      0.4071000    
 O    5.281500      -1.560500      0.9007000    
 O   -5.182900     -0.9057000     -0.7420000    
 O   -3.539400       1.791200     -0.2057000    
 O   -5.738000      0.4408000       1.069100    
 N  -0.6399000      0.9808000     -9.2799999E-02
 N   -2.615100     -0.3611000      0.2123000    
 N    5.424500     -0.7780000      -1.549600    
 C    3.444800      6.4900003E-02  2.3700001E-02
 C    1.124900     -0.5478000      0.1873000    
 C   0.7309000      0.7682000     -7.2999999E-02
 C    2.477900     -0.9202000      0.2400000    
 C    3.077200       1.380400     -0.2372000    
 C    1.728400       1.744100     -0.2883000    
 C   -1.263500     -0.1493000      0.1460000    
 C   -3.610000      0.5981000      3.6200002E-02
 C   -4.988500      3.2800000E-02  0.2038000    
 C   -6.474000      -1.521200     -0.7286000    
 H    2.751500      -1.952000      0.4379000    
 H    3.825200       2.149000     -0.4133000    
 H    1.452000       2.774200     -0.4945000    
 H   -2.895900      -1.317300      0.4141000    
 H    5.998600     -0.1366000      -2.110400    
 H    5.572200      -1.770100      -1.771800    
 H   -6.638600      -2.035700      0.2231000    
 H   -6.508600      -2.257500      -1.536100    
 H   -7.253000     -0.7725000     -0.9022000    


%chk=000059852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059852

0 1
S 5.201349 -0.505558 0.066032
S -0.371585 -1.707188 -0.078171
O 6.025738 0.712883 0.762283
O 5.265118 -2.052237 0.574508
O -5.162214 -1.111921 -0.144019
O -3.441989 2.045530 -0.207126
O -6.157436 1.003009 -0.232446
N -0.656405 1.000523 -0.079401
N -2.745251 -0.224915 -0.124826
N 5.696455 -0.522716 -1.705248
C 3.387376 -0.010545 0.005861
C 1.096570 -0.648410 -0.045870
C 0.722582 0.741617 -0.051676
C 2.442592 -1.048806 -0.017492
C 3.076268 1.364017 0.015143
C 1.721546 1.743656 -0.014244
C -1.362430 -0.102730 -0.095511
C -3.687175 0.823625 -0.174877
C -5.143365 0.290619 -0.188442
C -6.507237 -1.747468 -0.149603
H 2.764368 -2.093953 0.012073
H 3.876769 2.107741 0.069595
H 1.420004 2.794101 -0.005632
H -3.156470 -1.166062 -0.107901
H 6.436600 0.185897 -1.839255
H 5.997634 -1.481626 -1.945620
H -7.076897 -1.416726 0.733996
H -6.311045 -2.827478 -0.118224
H -7.048070 -1.463378 -1.066907


