%chk=000161397.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161397

0 1
 S    1.506300       1.177300     -0.9910000    
 S   -1.491500       1.168800     -0.9768000    
 P    3.100500      0.6830000      0.2843000    
 P   -3.098000      0.6786000      0.2895000    
 O    3.091200     -0.9077000      0.6201000    
 O    4.503100      0.8743000     -0.5157000    
 O   -4.493800      0.8789000     -0.5209000    
 O   -3.104400     -0.9111000      0.6304000    
 O    3.041700       1.515900       1.538600    
 O   -3.045400       1.514100       1.542800    
 C   1.3000000E-02  0.8224000     -3.8300000E-02
 C    3.141400      -1.854900     -0.4333000    
 C    5.714500      0.5429000      0.1417000    
 C   -5.712100      0.5570000      0.1287000    
 C   -3.151200      -1.863600     -0.4181000    
 C    3.120200      -3.249200      0.1559000    
 C    6.872700      0.8035000     -0.7977000    
 C   -6.861900      0.8244000     -0.8189000    
 C   -3.146400      -3.254700      0.1788000    
 H   1.5000000E-02   1.429900      0.8705000    
 H   1.6799999E-02 -0.2317000      0.2522000    
 H    2.276100      -1.721700      -1.088600    
 H    4.052400      -1.708900      -1.020800    
 H    5.814100       1.158200       1.041300    
 H    5.702300     -0.5101000      0.4372000    
 H   -5.709200     -0.4957000      0.4255000    
 H   -5.813500       1.174100       1.026800    
 H   -4.055200      -1.713700      -1.015500    
 H   -2.278400      -1.739700      -1.065300    
 H    3.154900      -4.007000     -0.6317000    
 H    3.973300      -3.396900      0.8264000    
 H    2.215300      -3.401500      0.7534000    
 H    7.825900      0.5627000     -0.3192000    
 H    6.772400      0.2033000      -1.708100    
 H    6.888500       1.853400      -1.108700    
 H   -7.820100      0.5909000     -0.3465000    
 H   -6.868200       1.873900      -1.131400    
 H   -6.759800      0.2223000      -1.727700    
 H   -3.178900      -4.016500     -0.6050000    
 H   -2.248800      -3.410500      0.7863000    
 H   -4.007300      -3.392300      0.8414000    


%chk=000161397-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161397

0 1
S 1.072639 0.719426 0.774726
S -1.069629 -1.603724 1.204886
P 2.854355 -0.774320 0.596812
P -2.906031 -0.170134 1.014483
O 2.755600 -1.595084 -0.906111
O 4.173891 0.295258 0.262906
O -3.307789 -0.230894 -0.670004
O -4.268840 -0.983763 1.660685
O 2.958088 -1.744052 1.850027
O -2.626527 1.246904 1.675279
C 0.075615 -0.329100 1.990403
C 2.608049 -0.814628 -2.173716
C 4.734730 1.105509 1.389208
C -2.367372 0.406599 -1.640700
C -4.630432 -2.348913 1.160488
C 2.437640 -1.851272 -3.279202
C 5.850076 1.951794 0.785433
C -2.863439 0.017358 -3.029329
C -5.849435 -2.775073 1.971040
H -0.525088 0.389404 2.569758
H 0.775669 -0.896608 2.624044
H 1.721689 -0.155269 -2.085214
H 3.513242 -0.196934 -2.312957
H 3.926666 1.730988 1.815907
H 5.111961 0.416062 2.166642
H -2.390306 1.500579 -1.484325
H -1.341581 0.033828 -1.446242
H -4.846862 -2.280937 0.079467
H -3.771505 -3.029369 1.325364
H 2.330702 -1.341664 -4.254916
H 3.316357 -2.515806 -3.326190
H 1.540979 -2.468259 -3.101570
H 6.311308 2.575681 1.573289
H 6.631967 1.310085 0.345804
H 5.456126 2.617737 -0.000826
H -2.218739 0.480582 -3.799283
H -2.838571 -1.077378 -3.163168
H -3.897468 0.368265 -3.185398
H -6.175626 -3.782049 1.650800
H -5.610973 -2.807964 3.047153
H -6.683636 -2.070467 1.817149


