%chk=000036818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036818

0 1
 S    3.175500       2.033000      9.8099999E-02
 F   -6.158000      -1.364300      0.1275000    
 O  -6.9300003E-02  -1.640100     -6.0400002E-02
 N  -0.9475000      0.5506000     -6.6900000E-02
 N   0.5373000       2.438700      5.2999998E-03
 C    2.701000     -0.4941000     -3.2900002E-02
 C    2.969100      -1.970200     -7.2999999E-02
 C    4.439000      -2.284400     -0.3921000    
 C    5.396900      -1.392100      0.4075000    
 C    5.188800      9.3300000E-02  7.9499997E-02
 C    3.729500      0.4264000      5.5100001E-02
 C    1.426000      0.1597000     -3.8899999E-02
 C    1.544500       1.532900      1.9600000E-02
 C   9.0800002E-02 -0.4227000     -7.6600000E-02
 C  -0.6618000       1.932400     -5.7700001E-02
 C   -2.295900      5.5900000E-02 -1.6600000E-02
 C   -1.793400       2.932900     -0.1847000    
 C   -2.903400     -0.1542000       1.214400    
 C   -2.974100     -0.2071000      -1.199900    
 C   -4.211600     -0.6357000       1.263400    
 C   -4.282400     -0.6885000      -1.151200    
 C   -4.901200     -0.9027000      8.0600001E-02
 H    2.333400      -2.454500     -0.8224000    
 H    2.711600      -2.396700      0.9044000    
 H    4.641600      -3.339700     -0.1774000    
 H    4.621400      -2.135100      -1.464200    
 H    6.435000      -1.671300      0.1953000    
 H    5.232500      -1.559500       1.479800    
 H    5.721300      0.7058000      0.8159000    
 H    5.618800      0.3110000     -0.9060000    
 H   -2.335200       2.761200      -1.118900    
 H   -2.485000       2.820500      0.6545000    
 H   -1.407400       3.956500     -0.1851000    
 H   -2.373600      5.1199999E-02   2.140600    
 H   -2.499500     -4.2900000E-02  -2.163600    
 H   -4.693700     -0.8025000       2.222100    
 H   -4.819500     -0.8963000      -2.071800    


%chk=000036818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036818

0 1
S 3.287102 2.166439 -0.097007
F -6.182339 -1.451387 0.006752
O -0.144881 -1.607692 0.061550
N -0.932726 0.619270 -0.026469
N 0.525825 2.523846 -0.091963
C 2.745932 -0.459987 0.003243
C 2.956422 -1.963019 0.050866
C 4.409263 -2.340913 -0.326889
C 5.437043 -1.437524 0.395297
C 5.275538 0.046893 -0.032114
C 3.815632 0.422316 -0.034185
C 1.467470 0.221807 -0.010550
C 1.566295 1.628626 -0.065357
C 0.139844 -0.375561 0.013803
C -0.704870 2.007956 -0.072058
C -2.290698 0.093720 -0.017918
C -1.889435 2.941431 -0.094616
C -2.911848 -0.215306 1.212391
C -2.961946 -0.128670 -1.240527
C -4.223430 -0.734903 1.229196
C -4.274539 -0.646743 -1.240752
C -4.873363 -0.934084 -0.001654
H 2.228312 -2.461652 -0.612882
H 2.720540 -2.329894 1.070144
H 4.592128 -3.402766 -0.077318
H 4.545403 -2.238434 -1.422421
H 6.468836 -1.770683 0.176795
H 5.289996 -1.521307 1.490046
H 5.850772 0.703702 0.648800
H 5.705427 0.193713 -1.044787
H -2.511641 2.793933 -0.995703
H -2.548097 2.788765 0.779117
H -1.506878 3.971894 -0.086797
H -2.366032 -0.064167 2.148736
H -2.454406 0.088029 -2.185785
H -4.729808 -0.987728 2.164689
H -4.819344 -0.832521 -2.170371


