%chk=000074322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074322

0 1
 S    3.299300      3.6600001E-02  0.8417000    
 F   0.6691000       1.360700       1.691400    
 F  -0.1458000       3.075700      0.6375000    
 F    1.503800       2.751000      -1.421600    
 F    2.477400       2.976700      0.5064000    
 F   6.8000001E-03 -0.2364000     -0.5556000    
 F  -0.8420000       1.536100      -1.488500    
 F    2.004400      5.9500001E-02  -1.409200    
 F    3.704100       1.406000      -1.318000    
 F   -2.473600       1.936900      0.6179000    
 F   -1.650000      0.2044000       1.648700    
 F   -3.168100      0.3957000      -1.525700    
 F   -2.318600      -1.373400     -0.5795000    
 F   -3.992800     -0.9325000       1.616400    
 F   -4.809200      0.7992000      0.5824000    
 F   -5.570600     -0.7640000      -1.525800    
 F   -6.336700      -1.434400      0.4031000    
 F   -4.724600      -2.530300     -0.5596000    
 O    4.178200      0.9327000       1.569400    
 O    2.180600     -0.5938000       1.517300    
 O    2.801500      -4.592200      0.2914000    
 N    4.243600      -1.190900      9.9699996E-02
 C   0.4329000       1.853600      0.4511000    
 C    1.762900       2.095700     -0.2515000    
 C  -0.5630000      0.9646000     -0.2821000    
 C    2.663500      0.9151000     -0.5856000    
 C   -1.896100      0.7185000      0.4160000    
 C   -2.891100     -0.1700000     -0.3171000    
 C   -4.220800     -0.4143000      0.3815000    
 C    3.556500      -2.415000     -0.3788000    
 C    5.373100     -0.7986000     -0.7777000    
 C   -5.213500      -1.293600     -0.3370000    
 C    3.492200      -3.434500      0.7438000    
 C    6.466700      -1.844900     -0.7022000    
 H    2.540200      -2.172700     -0.7112000    
 H    4.026800      -2.849600      -1.266600    
 H    5.029400     -0.6774000      -1.810400    
 H    5.787300      0.1580000     -0.4428000    
 H    2.962300      -3.051000       1.619400    
 H    4.495000      -3.732500       1.067700    
 H    6.765900      -2.026500      0.3358000    
 H    6.170700      -2.803500      -1.136900    
 H    7.349400      -1.500700      -1.251300    
 H    3.297900      -4.953800     -0.4627000    


%chk=000074322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074322

0 1
S 3.067170 -1.010985 0.675184
F 0.523173 0.920090 1.517329
F -0.195795 2.813374 0.445731
F 1.185657 2.194968 -1.831782
F 2.433428 2.279837 0.072933
F -0.904110 -0.694576 0.007696
F -1.141639 0.817966 -1.694496
F 1.328996 -0.728218 -1.638565
F 3.299608 0.411935 -1.780295
F -2.841860 2.344404 -0.323889
F -2.273977 1.418651 1.694697
F -3.528599 -0.520449 -1.092914
F -3.464935 -0.897318 1.162053
F -5.064488 1.696591 1.325546
F -5.415474 1.334968 -0.907116
F -6.110813 -1.452441 -0.164167
F -7.450579 0.267462 0.472160
F -6.110752 -0.735605 1.995413
O 3.371439 -0.030749 1.923029
O 2.102459 -2.303397 0.772532
O 4.855350 -4.980895 -1.608842
N 4.660295 -1.566988 0.013478
C 0.180445 1.461506 0.259239
C 1.486335 1.491666 -0.627973
C -1.074709 0.675700 -0.291538
C 2.179550 0.151548 -0.960851
C -2.452265 1.148711 0.320754
C -3.622843 0.099009 0.173275
C -5.068950 0.713930 0.309474
C 4.582835 -2.585994 -1.058961
C 5.764035 -0.573542 0.050405
C -6.199018 -0.325536 0.663786
C 4.966623 -3.993009 -0.532109
C 7.085706 -1.248287 0.467866
H 3.557729 -2.658444 -1.468091
H 5.248227 -2.272837 -1.889062
H 5.871057 -0.079089 -0.936325
H 5.494942 0.194762 0.797229
H 4.238860 -4.308193 0.231000
H 5.979145 -3.981860 -0.081754
H 6.981749 -1.733175 1.452739
H 7.412009 -2.005116 -0.267321
H 7.877463 -0.480144 0.534050
H 5.611521 -4.880029 -2.240350


