%chk=000127812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127812

0 1
 S   0.6373000      -1.806500     -0.3996000    
 F   -2.238600       1.593900      -2.201700    
 F   -4.814500       4.198200      0.7931000    
 O   -2.069500     -0.7947000      -1.683800    
 N   -3.806100      -2.015600      0.3268000    
 N   -4.305300      -2.051000     -0.9023000    
 N   -5.863500      -2.550800      0.6961000    
 N    2.949200     -0.7833000      -1.280400    
 N    4.225900     -0.3294000      -1.163500    
 N    6.118300      0.1299000      0.1477000    
 N    6.778900      0.1557000       1.318300    
 N    8.075400      0.9540000     -0.3889000    
 C   -1.860200     -0.4577000     -0.2953000    
 C  -0.2941000     -0.2167000     -0.1257000    
 C   -2.389600      -1.681400      0.5302000    
 C   -2.669800      0.8194000      1.9999999E-04
 C   7.1000002E-02  0.2266000       1.307700    
 C   0.3061000      0.7921000      -1.120400    
 C   -2.795000       1.755600     -0.9931000    
 C   -3.226100      0.9567000       1.245800    
 C    2.306500      -1.226700     -0.1799000    
 C   -3.528300       2.910900     -0.7221000    
 C   -3.959200       2.112000       1.516900    
 C   -4.710800      -2.307000       1.275000    
 C   -4.110500       3.089000      0.5330000    
 C    2.884600      -1.243700       1.072800    
 C   -5.568300      -2.382900     -0.6265000    
 C    4.183700     -0.7820000       1.191800    
 C    4.817400     -0.3342000      4.9899999E-02
 C    6.900500      0.6079000     -0.8614000    
 C    7.954500      0.6616000      0.9395000    
 H   -1.889700      -2.605700      0.2173000    
 H   -2.218900      -1.582900       1.606900    
 H  -0.1189000     -0.5535000       2.053000    
 H  -0.5173000       1.100800       1.605200    
 H    1.103700      0.5702000       1.409500    
 H    1.352600       1.040000     -0.9253000    
 H   0.2120000      0.4629000      -2.161100    
 H  -0.1891000       1.763600      -1.035500    
 H   -1.528700      -1.578700      -1.881100    
 H   -3.104900      0.2466000       2.053200    
 H   -3.645600       3.671700      -1.487900    
 H   -4.405800       2.255400       2.496500    
 H   -4.506500      -2.332600       2.336100    
 H    2.360800      -1.613300       1.948400    
 H   -6.296600      -2.506000      -1.414200    
 H    4.649100     -0.7931000       2.171800    
 H    6.585700      0.6842000      -1.893500    
 H    8.748100      0.8219000       1.653900    


%chk=000127812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127812

0 1
S 0.718599 -0.699093 2.587527
F -1.170398 2.691030 -0.932069
F -5.826152 3.672538 -0.580636
O -0.554579 0.144038 -0.543683
N -2.288422 -2.016936 -0.420204
N -1.535433 -3.118785 -0.857736
N -3.235802 -2.629777 -2.359962
N 1.913058 -0.372356 0.119707
N 2.939017 -0.401282 -0.783740
N 5.174436 -0.833653 -1.337673
N 6.486758 -1.226286 -1.002616
N 6.318349 -0.672278 -3.255890
C -1.391024 0.116708 0.621007
C -0.635652 0.614253 1.944931
C -1.895098 -1.359787 0.827613
C -2.568229 1.092749 0.332534
C -1.550869 0.661518 3.191990
C 0.088770 1.957506 1.746179
C -2.416219 2.271827 -0.448645
C -3.885752 0.852396 0.813291
C 2.105701 -0.714316 1.427408
C -3.482378 3.133409 -0.771441
C -4.982087 1.693083 0.531258
C -3.285636 -1.746575 -1.332719
C -4.753065 2.821326 -0.271906
C 3.383673 -1.140944 1.900650
C -2.156221 -3.441150 -2.025721
C 4.439427 -1.202808 0.991268
C 4.160957 -0.814087 -0.349589
C 5.105667 -0.509481 -2.688873
C 7.120534 -1.106700 -2.195498
H -1.051966 -1.955636 1.210530
H -2.715451 -1.430703 1.562420
H -1.993220 -0.319887 3.437419
H -2.371688 1.377878 3.016808
H -0.981159 1.008761 4.071152
H 0.679045 2.206961 2.644406
H 0.744469 1.948964 0.862287
H -0.655818 2.758702 1.592907
H 0.440399 -0.078067 -0.339120
H -4.078464 -0.030303 1.429111
H -3.309466 4.018548 -1.388370
H -5.983183 1.475703 0.911624
H -3.994518 -0.930667 -1.239466
H 3.523615 -1.404680 2.951982
H -1.820094 -4.273173 -2.638453
H 5.446539 -1.519620 1.268672
H 4.191907 -0.180902 -3.173787
H 8.177024 -1.336565 -2.303482


