%chk=000078754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078754

0 1
 S   -1.350700      0.7014000     -5.5700000E-02
 O    3.354600     -0.8604000     -0.6815000    
 O    3.241600      3.1700000E-02   1.431900    
 O    1.205600       2.874700      -1.718600    
 O   0.3566000       4.063800      1.5000000E-02
 N    1.897100      0.8064000     -0.2927000    
 C    4.370900      -1.762700     -0.2426000    
 C    1.181300       1.823900      0.4418000    
 C    3.800800      -2.627900      0.8805000    
 C    4.766900      -2.626400      -1.438100    
 C    5.565400     -0.9473000      0.2505000    
 C  -6.7500003E-02   1.251900       1.117300    
 C    2.865200     -1.9000000E-03  0.2649000    
 C   -2.547400      8.3600000E-02   1.147700    
 C   0.8709000       3.039100     -0.4165000    
 C   -3.781900     -0.4674000      0.4889000    
 C   -3.830200      -1.810600      0.1393000    
 C   -4.858500      0.3735000      0.2388000    
 C   -4.975200      -2.321900     -0.4717000    
 C   -6.003500     -0.1379000     -0.3721000    
 C   -6.061900      -1.485600     -0.7273000    
 H    1.861900       2.182400       1.225000    
 H    4.436300      -3.506200       1.046000    
 H    2.795100      -2.984700      0.6297000    
 H    3.733600      -2.128700       1.850300    
 H    5.548100      -3.348400      -1.179000    
 H    3.900700      -3.176500      -1.823600    
 H    5.130400      -2.003700      -2.263700    
 H    5.430400     -0.4909000       1.234200    
 H    6.452900      -1.585200      0.3400000    
 H    5.803300     -0.1382000     -0.4499000    
 H   0.2097000      0.4003000       1.748600    
 H  -0.5150000       2.017800       1.760500    
 H    1.667700      0.6657000      -1.272100    
 H   -2.825300      0.8941000       1.831600    
 H   -2.077700     -0.6958000       1.759300    
 H   -2.989600      -2.471000      0.3327000    
 H   -4.823800       1.424900      0.5102000    
 H   -5.020700      -3.371100     -0.7485000    
 H   -6.849600      0.5133000     -0.5715000    
 H   -6.953400      -1.883600      -1.203000    
 H   0.9904000       3.666900      -2.255600    


%chk=000078754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078754

0 1
S -1.262374 -0.627241 0.803421
O 3.564760 -0.943360 -0.678515
O 3.364951 0.037345 1.481893
O 0.308467 2.043441 -1.558280
O -0.856485 2.854696 0.276832
N 1.763855 0.336514 -0.190461
C 4.886424 -1.645441 -0.387719
C 0.933018 1.200927 0.644859
C 4.690475 -2.650027 0.765347
C 5.161715 -2.362090 -1.720713
C 5.965887 -0.588910 -0.077512
C 0.069651 0.414136 1.664517
C 2.943935 -0.176738 0.309208
C -2.824292 0.335696 1.396215
C 0.032164 2.110488 -0.191151
C -4.025545 -0.088120 0.588740
C -4.811413 -1.202411 0.982178
C -4.386349 0.621939 -0.586181
C -5.933822 -1.597270 0.220361
C -5.509380 0.231373 -1.347932
C -6.286353 -0.881027 -0.947129
H 1.608206 1.856380 1.236750
H 5.613024 -3.245434 0.893096
H 3.861821 -3.342922 0.535084
H 4.471552 -2.128437 1.710165
H 6.111872 -2.921921 -1.656634
H 4.349589 -3.071722 -1.954823
H 5.236747 -1.632794 -2.545654
H 5.739646 -0.058747 0.861066
H 6.948609 -1.085273 0.022573
H 6.032993 0.145470 -0.899813
H 0.723461 -0.258744 2.239659
H -0.436390 1.111292 2.352209
H 1.501354 0.157871 -1.160016
H -2.592657 1.404472 1.261661
H -2.946222 0.106508 2.467498
H -4.539784 -1.759809 1.886920
H -3.785205 1.486127 -0.894229
H -6.532897 -2.458454 0.537122
H -5.781186 0.792611 -2.249159
H -7.158699 -1.184798 -1.536727
H -0.309623 2.645805 -2.053727


