%chk=000036027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036027

0 1
 S   -4.841500     -0.3064000     -4.6399999E-02
 P    2.107500      6.7599997E-02  0.7878000    
 O   0.9028000       1.124900      0.5403000    
 O    3.410800       1.036100      0.6540000    
 O    2.051300     -0.5481000       2.163300    
 O   -5.156100      -1.199500       1.119100    
 N    2.136000     -0.9759000     -0.5030000    
 C    3.232100      -1.927600     -0.6068000    
 C    3.537100      -2.225600      -2.072100    
 C    2.870500      -3.202800      0.1480000    
 C  -0.4201000      0.8035000      0.3988000    
 C   -2.592200       1.274600     -0.5307000    
 C   -3.109100      0.1504000      0.1131000    
 C   -1.243900       1.602100     -0.3875000    
 C  -0.9293000     -0.3188000       1.043500    
 C   -2.277600     -0.6463000      0.9002000    
 C    3.575800       1.860300     -0.4880000    
 C   -3.448300       2.155000      -1.382900    
 C    4.862000       2.646100     -0.3474000    
 C   -4.667700      -1.369600      -1.503200    
 H    4.137600      -1.498100     -0.1621000    
 H    1.259400      -1.428700     -0.7593000    
 H    4.374800      -2.925900      -2.158500    
 H    2.673700      -2.669500      -2.580500    
 H    3.811100      -1.310100      -2.608100    
 H    2.693000      -3.004700       1.209800    
 H    3.686400      -3.931200      8.3200000E-02
 H    1.970700      -3.674600     -0.2631000    
 H  -0.8269000       2.474700     -0.8840000    
 H  -0.3159000     -0.9583000       1.666600    
 H   -2.651100      -1.530800       1.409100    
 H    3.614100       1.238000      -1.386800    
 H    2.728700       2.547800     -0.5700000    
 H   -2.893900       3.025500      -1.751600    
 H   -3.812400       1.611500      -2.260100    
 H   -4.298300       2.541900     -0.8113000    
 H    5.020500       3.294600      -1.213500    
 H    4.840100       3.263000      0.5570000    
 H    5.717900       1.969900     -0.2509000    
 H   -4.327300     -0.7799000      -2.356900    
 H   -5.645100      -1.800800      -1.732900    
 H   -3.958800      -2.175500      -1.297400    


%chk=000036027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036027

0 1
S -4.742733 1.561116 0.770735
P 2.027853 -1.009707 0.119268
O 0.698511 -0.576012 -0.962467
O 2.445087 0.493884 0.868215
O 1.803825 -2.100792 1.247237
O -4.623974 1.447137 2.438569
N 3.120724 -1.368431 -1.151481
C 4.270643 -2.297378 -0.960876
C 5.390054 -1.899325 -1.943781
C 3.849967 -3.777783 -1.113829
C -0.555192 -0.099490 -0.512388
C -2.687057 0.911677 -1.204081
C -3.070173 0.858838 0.157971
C -1.398431 0.417808 -1.521896
C -0.959652 -0.136571 0.842778
C -2.235789 0.364854 1.171711
C 2.763529 1.682283 0.023041
C -3.595517 1.455254 -2.293866
C 3.291200 2.748023 0.979724
C -5.817685 0.024595 0.309095
H 4.633786 -2.143691 0.073672
H 2.763678 -1.250142 -2.103741
H 6.274797 -2.544310 -1.798283
H 5.054492 -2.021760 -2.991890
H 5.690663 -0.847946 -1.793928
H 3.063060 -4.029021 -0.381933
H 4.713919 -4.445938 -0.941633
H 3.463535 -3.971335 -2.132455
H -1.038235 0.430686 -2.555797
H -0.302389 -0.544510 1.617462
H -2.605318 0.395287 2.205985
H 3.517792 1.394494 -0.735567
H 1.840545 2.014074 -0.489785
H -3.014669 1.739500 -3.187194
H -4.338963 0.699422 -2.613871
H -4.155163 2.346303 -1.955079
H 3.534525 3.670538 0.420286
H 2.533525 2.990606 1.743479
H 4.201992 2.395188 1.491955
H -5.841238 -0.096016 -0.784455
H -6.817849 0.231200 0.717150
H -5.349276 -0.833810 0.810740


