%chk=000002315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002315

0 1
 S  -0.3624000      -2.784200      6.1700001E-02
 S    4.462900     -0.4159000     -0.4424000    
 F    2.302300       3.303100      0.6950000    
 F    4.034800       2.123300       1.252100    
 F    3.608100       2.499100     -0.8468000    
 O   0.3709000      -3.831100      0.7461000    
 O  -0.7624000      -2.926200      -1.323800    
 O    5.165900      0.6741000      0.2171000    
 O    4.870400      -1.792300     -0.2037000    
 N   -1.706800      -2.365900       1.020700    
 N   -1.344900      5.4000001E-02  0.8261000    
 N    4.451900     -0.1290000      -2.126100    
 C   -2.310000      -1.029200      0.8258000    
 C   0.5951000      -1.308000      0.1540000    
 C  -7.1000000E-03 -9.2600003E-02  0.5054000    
 C   -3.154500     -0.9877000     -0.4403000    
 C    1.960300      -1.409700     -0.1319000    
 C   0.8286000       1.035900      0.5609000    
 C    2.759300     -0.2727000     -7.2200000E-02
 C    2.194300      0.9507000      0.2740000    
 C   -4.200300      9.1899998E-02 -0.3754000    
 C    3.018000       2.194900      0.3446000    
 C   -5.453400     -0.1997000      0.1465000    
 C   -3.898800       1.365400     -0.8387000    
 C   -6.423100      0.8012000      0.2063000    
 C   -4.868500       2.366300     -0.7789000    
 C   -6.130600       2.084200     -0.2563000    
 H   -2.959600     -0.8762000       1.697800    
 H   -1.710600      -2.698100       1.993600    
 H   -1.684800      0.9880000       1.027600    
 H   -3.658200      -1.952000     -0.5941000    
 H   -2.533000     -0.8412000      -1.333500    
 H    2.383000      -2.370200     -0.4130000    
 H   0.3929000       1.995400      0.8360000    
 H   -5.690900      -1.194900      0.5116000    
 H   -2.920500       1.596600      -1.250500    
 H    4.841700      0.7604000      -2.460900    
 H    4.639700     -0.9255000      -2.747100    
 H   -7.405700      0.5818000      0.6138000    
 H   -4.641000       3.365100      -1.139600    
 H   -6.885600       2.863600     -0.2095000    


%chk=000002315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002315

0 1
S -0.388207 -3.017408 -0.029463
S 4.438548 -0.340538 -0.593794
F 1.722999 3.434706 0.381827
F 3.387135 2.519774 1.597519
F 3.545540 2.611972 -0.669113
O 0.488826 -4.215090 0.615021
O -1.028502 -3.145726 -1.509405
O 5.339944 0.513963 0.449239
O 4.677596 -1.934781 -0.815834
N -1.771085 -2.663874 1.161455
N -1.478497 -0.213982 1.010042
N 4.478656 0.352585 -2.283339
C -2.433828 -1.366859 0.971583
C 0.535029 -1.387305 0.134934
C -0.161234 -0.228550 0.597246
C -3.335523 -1.332680 -0.300305
C 1.891159 -1.372643 -0.211865
C 0.607041 0.976841 0.659509
C 2.603257 -0.169862 -0.129679
C 1.960509 1.023884 0.293186
C -4.133339 -0.038267 -0.360946
C 2.655366 2.365841 0.406513
C -5.309310 0.120628 0.418849
C -3.699819 1.048200 -1.164459
C -6.032098 1.334522 0.400048
C -4.420937 2.264435 -1.186870
C -5.587611 2.412209 -0.401537
H -3.097721 -1.250613 1.851407
H -1.397510 -2.843575 2.109245
H -1.898097 0.697007 1.207834
H -4.002108 -2.210944 -0.230035
H -2.712774 -1.468630 -1.200665
H 2.415130 -2.285125 -0.526299
H 0.115735 1.896290 0.993351
H -5.671814 -0.717933 1.027737
H -2.805867 0.931727 -1.789704
H 4.736320 1.351076 -2.255602
H 5.106395 -0.238064 -2.852632
H -6.943193 1.437548 0.999794
H -4.078762 3.089855 -1.820958
H -6.149950 3.352085 -0.421834


