%chk=000108043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108043

0 1
 S   -6.398300     -0.2449000      -1.196500    
 F    9.652500       1.610800      -1.821000    
 O    5.494100     -0.1817000       1.283900    
 N  -0.5123000      -1.573000      0.8344000    
 N   -4.292600      -1.852000      -1.016500    
 N   -4.196800      0.2518000      5.1899999E-02
 C   -2.965100      -2.251900     -0.6058000    
 C   -2.878300      -2.290300      0.9196000    
 C   -1.934100      -1.274800      -1.168700    
 C   -1.446800      -2.564700       1.384700    
 C  -0.5331000      -1.580700     -0.6351000    
 C   0.8428000      -1.817600       1.328100    
 C    1.800100     -0.7494000      0.8026000    
 C   -5.056100      -2.806200      -1.821700    
 C   -4.832200     -0.6229000     -0.6642000    
 C    3.224300     -0.9916000       1.299700    
 C    4.180000      9.1399997E-02  0.8162000    
 C   -6.265400       1.276300     -0.3957000    
 C   -5.012400       1.361500      0.2187000    
 C   -7.202600       2.319000     -0.3167000    
 C   -4.688300       2.533100      0.9368000    
 C   -6.856700       3.467200      0.4001000    
 C   -5.616400       3.575000       1.019400    
 C    6.531700      0.2666000      0.5088000    
 C    6.370700       1.411900     -0.2624000    
 C    7.735000     -0.4297000      0.5017000    
 C    7.427300       1.867100      -1.051300    
 C    8.791500      2.5500000E-02 -0.2871000    
 C    8.637700       1.174000      -1.063600    
 H   -2.718900      -3.253700     -0.9817000    
 H   -3.539500      -3.077600       1.303900    
 H   -3.208300      -1.364300       1.398900    
 H   -2.153400     -0.2283000     -0.9382000    
 H   -1.926300      -1.343800      -2.264300    
 H   -1.154100      -3.581900       1.092600    
 H   -1.429800      -2.524900       2.480700    
 H   9.6400000E-02 -0.7982000      -1.065300    
 H  -0.1865000      -2.544400      -1.030700    
 H    1.196500      -2.814400       1.033500    
 H   0.8462000      -1.781300       2.424700    
 H    1.460900      0.2463000       1.114000    
 H    1.867900     -0.7525000     -0.2884000    
 H   -5.975100      -3.110400      -1.308300    
 H   -4.491100      -3.725800      -2.010700    
 H   -5.299600      -2.388100      -2.804900    
 H    3.244300      -1.025500       2.396100    
 H    3.584000      -1.971900      0.9625000    
 H    3.860700       1.067400       1.200000    
 H    4.139200      0.1031000     -0.2810000    
 H   -8.172800       2.241800     -0.7978000    
 H   -3.722100       2.627500       1.424400    
 H   -7.567600       4.286100      0.4736000    
 H   -5.364900       4.475800       1.572700    
 H    5.455800       1.996400     -0.2596000    
 H    7.858800      -1.324700       1.104700    
 H    7.310400       2.764700      -1.651400    
 H    9.733900     -0.5140000     -0.2970000    


%chk=000108043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108043

0 1
S -6.949723 -0.292059 -0.776866
F 10.275120 2.493434 -0.331322
O 5.744099 -0.659322 0.652418
N -0.434618 -1.768603 0.454817
N -4.628624 -1.888633 -0.725510
N -4.439890 0.396241 0.027746
C -3.199509 -2.238836 -0.438804
C -2.832973 -2.127899 1.060575
C -2.194941 -1.423146 -1.286819
C -1.372364 -2.575974 1.275042
C -0.755824 -1.892367 -0.988311
C 0.983382 -2.079502 0.760336
C 1.962735 -0.980013 0.297204
C -5.544394 -2.920318 -1.245626
C -5.115708 -0.635907 -0.452829
C 3.420273 -1.313507 0.689045
C 4.394207 -0.216219 0.255790
C -6.621847 1.394347 -0.179405
C -5.241887 1.536782 0.191102
C -7.534357 2.457657 -0.066679
C -4.788909 2.784181 0.684888
C -7.061836 3.696684 0.429732
C -5.701128 3.853728 0.800706
C 6.824673 0.189067 0.367990
C 6.711654 1.449269 -0.273613
C 8.096100 -0.294291 0.772151
C 7.872401 2.223032 -0.508358
C 9.253117 0.472923 0.540004
C 9.115527 1.720621 -0.097757
H -3.102186 -3.304776 -0.731330
H -3.508513 -2.761887 1.666204
H -2.951307 -1.079923 1.382055
H -2.298119 -0.354439 -1.035978
H -2.412489 -1.555501 -2.363933
H -1.281173 -3.671607 1.035768
H -1.101590 -2.451317 2.339828
H -0.047862 -1.276660 -1.570100
H -0.628577 -2.956314 -1.332877
H 1.296413 -3.063432 0.319223
H 1.072699 -2.183159 1.859490
H 1.646094 -0.021581 0.752349
H 1.900972 -0.848610 -0.801531
H -6.306283 -3.212416 -0.495668
H -4.961901 -3.813834 -1.517305
H -6.071359 -2.565195 -2.152074
H 3.500105 -1.447406 1.785057
H 3.732705 -2.268519 0.224181
H 4.155879 0.746959 0.754096
H 4.360337 -0.065176 -0.844075
H -8.584424 2.339643 -0.352053
H -3.737740 2.893540 0.967993
H -7.756569 4.537753 0.526674
H -5.353785 4.819936 1.183016
H 5.740905 1.838410 -0.591840
H 8.154459 -1.269063 1.264725
H 7.811759 3.198069 -1.000517
H 10.241991 0.118334 0.844273


