%chk=000170661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170661

0 1
 S   -5.444700      0.9616000      0.3668000    
 S    5.465000      0.9257000     -0.3823000    
 O   -4.760400       2.195300      0.7157000    
 O   -6.077200      0.1573000       1.398700    
 O    4.776000       2.109300     -0.8681000    
 O    6.170500      5.6299999E-02  -1.308700    
 O   -2.255500      -1.631400      -1.505900    
 O    2.245400      -1.606800       1.522600    
 N   -1.094600      -1.791500      0.5005000    
 N    1.096100      -1.800000     -0.4878000    
 C   -4.286900     -6.9600001E-02 -0.4779000    
 C    4.283200     -6.2399998E-02  0.4809000    
 C   -3.150800     -0.5208000      0.4255000    
 C    3.152300     -0.5283000     -0.4216000    
 C  -6.9999998E-04  -2.604400      1.0100000E-02
 C   -2.135900      -1.372800     -0.3103000    
 C    2.133000      -1.368100      0.3221000    
 C   -6.612400       1.303700     -0.8639000    
 C    6.554900       1.395700      0.8772000    
 C   -7.646200       2.081400     -0.5370000    
 C    7.589100       2.169800      0.5434000    
 H   -4.834100     -0.9366000     -0.8641000    
 H   -3.897700      0.5009000      -1.328400    
 H    3.885100      0.5436000       1.302500    
 H    4.815100     -0.9190000      0.9090000    
 H   -3.543400      -1.102500       1.267800    
 H   -2.628700      0.3485000      0.8425000    
 H    2.632800      0.3335000     -0.8571000    
 H    3.550500      -1.124400      -1.251200    
 H   0.3441000      -3.232900      0.8366000    
 H  -0.3472000      -3.240000     -0.8102000    
 H   -1.072500      -1.501100       1.473500    
 H    1.079600      -1.525700      -1.465600    
 H   -6.499000      0.8964000      -1.861200    
 H    6.395200       1.066900       1.896900    
 H   -8.401400       2.321200      -1.277900    
 H   -7.770600       2.495100      0.4580000    
 H    8.297100       2.487300       1.301600    
 H    7.759800       2.504900     -0.4739000    


%chk=000170661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170661

0 1
S -2.186794 1.158909 1.020042
S 1.765128 1.260849 -1.403776
O -0.838678 0.643029 1.834558
O -3.535547 1.481451 1.889300
O 0.227895 0.650248 -1.517285
O 2.227410 2.461326 -2.419289
O -1.788201 -3.572171 -0.160608
O 2.355889 -1.021562 0.837466
N -0.840024 -2.138639 1.402246
N 1.106640 -2.856733 0.148204
C -2.630012 -0.197101 -0.307276
C 3.035690 -0.209734 -1.708235
C -3.013409 -1.516506 0.383411
C 2.345704 -1.554939 -1.553170
C 0.379093 -2.959446 1.428815
C -1.842100 -2.497721 0.527397
C 1.946011 -1.793122 -0.088330
C -1.747021 2.684771 -0.013241
C 1.938803 1.916417 0.374471
C -2.453802 3.802242 0.219362
C 2.522689 3.117346 0.513818
H -3.479797 0.271988 -0.827867
H -1.731093 -0.230681 -0.947027
H 3.810518 -0.026373 -0.949263
H 3.377441 0.013777 -2.730867
H -3.764446 -2.024016 -0.245919
H -3.498536 -1.312260 1.358491
H 1.449807 -1.609432 -2.200447
H 3.044429 -2.346952 -1.890501
H 1.033239 -2.596137 2.233761
H 0.108477 -4.014813 1.586814
H -0.803644 -1.163346 1.774774
H 0.691714 -3.374491 -0.632359
H -0.943380 2.451665 -0.719660
H 1.468991 1.241777 1.094943
H -2.242706 4.719083 -0.342532
H -3.252384 3.819423 0.973242
H 2.609482 3.570004 1.508071
H 2.911424 3.667969 -0.352734


