%chk=000159192.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159192

0 1
 S   -3.255000     -0.3348000     -0.8245000    
 F  -0.5876000     -0.8495000      -1.992000    
 F    1.012400      -1.873300     -0.9553000    
 F  -0.2461000       1.380000     -0.4985000    
 F    1.478700      0.7053000      -1.617600    
 F   -1.344900      -2.705300     -0.1870000    
 F  -0.2812000      -1.696200       1.408100    
 F   0.7738000      0.4322000       1.817900    
 F    1.988300       1.878700      0.7623000    
 F   -1.840200      0.5035000       1.171400    
 F   -2.896200      -1.361400       1.503300    
 F    3.336100     -6.8000001E-03   2.118500    
 F    2.360100      -1.608200       1.026800    
 F    4.844300      -1.186700      0.2639000    
 F    3.430000     -0.7400000      -1.321700    
 F    5.163500       1.476900      0.7926000    
 F    5.552100      0.9160000      -1.278500    
 F    3.729900       1.988600     -0.7716000    
 O   -2.603300      0.5776000      -1.741600    
 O   -3.849600      -1.574000      -1.281500    
 N   -4.584900      0.5895000     -0.2076000    
 N   -6.510000       1.003700      0.6527000    
 C   4.2399999E-02 -0.9303000     -0.7855000    
 C   0.7139000      0.4130000     -0.5273000    
 C  -0.9459000      -1.471400      0.2399000    
 C    1.569800      0.5810000      0.7214000    
 C   -2.190100     -0.6613000      0.5685000    
 C    2.783500     -0.3193000      0.9089000    
 C    3.894500     -0.2893000     -0.1300000    
 C    4.582500       1.036400     -0.3433000    
 C   -4.594400       1.910500     -0.1510000    
 C   -5.698200      4.7600001E-02  0.2589000    
 C   -5.828100       2.167500      0.3994000    
 H   -3.795000       2.565600     -0.4678000    
 H   -5.910500      -1.011300      0.3164000    
 H   -6.259000       3.131400      0.6283000    


%chk=000159192-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159192

0 1
S -3.483318 0.052169 -1.182122
F -0.619105 -0.780126 -2.026755
F 0.965800 -1.976524 -0.892531
F 0.049283 1.525636 -0.803861
F 1.780723 0.443441 -1.819903
F -1.536582 -2.527385 -0.132921
F -0.356718 -1.495999 1.527955
F 0.978711 0.875930 1.690024
F 2.412788 2.026254 0.337946
F -1.872600 0.909260 0.998645
F -3.094967 -0.961610 1.429344
F 3.536601 0.371288 2.215729
F 2.467491 -1.454651 1.362062
F 5.119701 -1.318529 0.831718
F 3.807276 -1.233582 -1.034973
F 5.452145 1.593063 0.583861
F 6.301611 0.212582 -1.002737
F 4.441225 1.421869 -1.445757
O -2.905372 1.367948 -1.909749
O -3.834686 -1.324043 -1.937060
N -5.016178 0.538640 -0.224862
N -6.994792 0.465664 0.800417
C 0.076194 -0.887598 -0.792714
C 0.940360 0.434420 -0.682875
C -1.009452 -1.282768 0.283528
C 1.842419 0.751286 0.576703
C -2.231504 -0.348604 0.520355
C 3.023108 -0.197686 1.027622
C 4.254579 -0.491859 0.079579
C 5.120205 0.712985 -0.450666
C -5.247432 1.854740 0.236483
C -6.098469 -0.276446 0.139374
C -6.480105 1.783773 0.870058
H -4.546426 2.662634 0.047196
H -6.165940 -1.331465 -0.108090
H -7.040974 2.571193 1.365879


