%chk=000090507.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090507

0 1
 S    3.228600      0.5622000     -0.5357000    
 F   0.7603000     -0.8797000      -1.641100    
 F   2.7000001E-02  -2.730300     -0.7729000    
 F  -0.9019000      -1.424200       1.419400    
 F  -0.1459000      0.4762000      0.6782000    
 F    1.532300      -2.452600       1.400400    
 F    2.623400      -2.448300     -0.4773000    
 F   -1.641400      9.4200000E-02  -1.648900    
 F   -2.380800      -1.772500     -0.8057000    
 F    3.622500     -0.9444000       1.532800    
 F    1.819800      0.2607000       1.625100    
 F   -3.308900     -0.4661000       1.404400    
 F   -2.551400       1.432000      0.6497000    
 F   -4.797000     -0.8175000     -0.8232000    
 F   -4.064700       1.048200      -1.670200    
 F   -5.036200       2.405300      0.5743000    
 F   -6.502900       1.274800     -0.5649000    
 F   -5.791600      0.5085000       1.349300    
 O    3.824900     -0.2988000      -1.539700    
 O    2.193000       1.507400     -0.9089000    
 O    6.599800       1.737000      -1.604400    
 N    4.475400       1.419400      0.2765000    
 C   0.4969000      -1.487800     -0.4588000    
 C  -0.6040000     -0.7376000      0.2794000    
 C    1.802000      -1.687100      0.3018000    
 C   -1.912600     -0.5350000     -0.4765000    
 C    2.587500     -0.4741000      0.7792000    
 C   -3.012500      0.2149000      0.2616000    
 C   -4.317500      0.4159000     -0.4947000    
 C    5.794700      0.7609000      0.4347000    
 C   -5.413700       1.157900      0.2284000    
 C    4.124800       2.267100       1.441800    
 C    6.870200       1.613200     -0.2140000    
 H    5.788100     -0.2284000     -3.3900000E-02
 H    6.020800      0.6042000       1.495300    
 H    3.195200       2.810900       1.251200    
 H    4.907300       3.012400       1.613100    
 H    4.008000       1.659200       2.343300    
 H    7.850700       1.142600     -9.2100002E-02
 H    6.904300       2.616400      0.2223000    
 H    7.310400       2.280300      -1.985700    


%chk=000090507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090507

0 1
S 3.317417 1.048758 -0.424383
F 0.677510 -0.469111 -1.650213
F -0.156026 -2.525571 -1.078890
F -0.864630 -1.151401 1.557690
F -0.526000 0.765932 0.353609
F 1.369116 -2.650875 1.185366
F 2.524608 -2.292463 -0.746415
F -2.134663 -0.659674 -1.798844
F -2.739670 -2.061667 -0.090565
F 3.645842 -1.062782 1.442816
F 1.751972 0.145281 1.834346
F -3.127309 0.513687 1.479528
F -3.073332 1.510173 -0.578959
F -5.194687 -1.029931 0.872732
F -4.926616 -0.778775 -1.386139
F -5.737098 1.825546 -1.305501
F -7.137775 0.565143 -0.052235
F -5.616174 1.909418 0.965040
O 3.627322 0.393047 -1.868631
O 2.306335 2.287787 -0.183461
O 7.182000 2.587408 -0.826348
N 4.866083 1.409515 0.366042
C 0.342896 -1.304958 -0.562517
C -0.817958 -0.612511 0.253484
C 1.678054 -1.665165 0.199916
C -2.249840 -0.771777 -0.396765
C 2.489238 -0.518282 0.844319
C -3.307961 0.291578 0.095962
C -4.810788 -0.125845 -0.137912
C 6.035745 0.604877 -0.028525
C -5.836650 1.070422 -0.135405
C 4.837216 2.254052 1.565245
C 7.333722 1.421612 0.042774
H 5.875828 0.265134 -1.066458
H 6.152575 -0.283722 0.627037
H 3.852178 2.745225 1.641548
H 5.594354 3.050040 1.449310
H 5.031880 1.673658 2.488244
H 8.151581 0.749497 -0.294431
H 7.547048 1.725345 1.090066
H 8.051559 3.048774 -0.928875


