%chk=000083421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083421

0 1
 S    2.941800     -0.9788000     -0.7784000    
 F   -1.516500      -1.140900       1.722500    
 F  -0.1417000      0.4301000       2.312100    
 F   -2.370000       1.388900       1.335200    
 F  -0.6613000       1.855000      9.3199998E-02
 F   0.9959000      -1.796800       1.423300    
 F  -4.6999998E-02  -1.702300     -0.4787000    
 F   -2.832700       1.500500      -1.326200    
 F   -1.356000     -3.1500001E-02  -1.718300    
 F    1.093900      0.8184000     -0.9493000    
 F    2.091400      0.6944000      0.9767000    
 F   -3.805300     -0.9372000      -1.895800    
 F   -2.717300      -1.846100     -0.2526000    
 F   -5.289400      -1.558600      0.2297000    
 F   -4.080800     -0.3419000       1.561200    
 F   -6.377300      0.8748000      0.8473000    
 F   -4.647300       1.882000     -1.7700000E-02
 F   -5.923300      0.6506000      -1.275800    
 O    2.436800      -1.654500      -1.958300    
 O    3.575800      -1.741800      0.2806000    
 N    3.991700      0.2646000      -1.277900    
 N    7.168700      0.1119000      0.4572000    
 C  -0.6694000     -0.1991000       1.220600    
 C   -1.487400      0.8333000      0.4570000    
 C   0.4649000     -0.9311000      0.5116000    
 C   -2.252200      0.3923000     -0.7834000    
 C    1.587100     -5.9300002E-02 -3.9400000E-02
 C   -3.316400     -0.6878000     -0.6448000    
 C   -4.502500     -0.4444000      0.2764000    
 C    4.465500       1.258900     -0.2999000    
 C    5.819600       1.820800     -0.7265000    
 C   -5.375600      0.7427000     -4.7600001E-02
 C    6.939400      0.7799000     -0.8183000    
 C    7.994000      0.9443000       1.334200    
 C    7.802800      -1.191300      0.2502000    
 H    3.817500      0.6605000      -2.211200    
 H    3.740000       2.078400     -0.2570000    
 H    4.543000      0.8160000      0.6977000    
 H    6.102400       2.626900     -3.9799999E-02
 H    5.713300       2.289100      -1.713900    
 H    7.856100       1.250500      -1.197500    
 H    6.644800      4.8400000E-02  -1.582400    
 H    7.503900       1.896600       1.559900    
 H    8.979100       1.154900      0.9018000    
 H    8.146400      0.4454000       2.298200    
 H    7.157100      -1.843700     -0.3482000    
 H    7.956900      -1.701000       1.207900    
 H    8.771800      -1.103500     -0.2545000    


%chk=000083421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083421

0 1
S 3.352015 -1.212342 -0.566520
F -1.796592 -1.887665 1.162107
F -0.420635 -0.712612 2.549069
F -2.616203 0.656350 1.965755
F -0.731414 1.582052 1.066063
F 0.860106 -2.420197 0.895823
F -0.090845 -1.505827 -0.980763
F -2.974469 2.090480 -0.322232
F -1.440104 0.838069 -1.455229
F 1.339404 0.789108 -0.694752
F 1.955114 0.278476 1.444657
F -3.953308 0.395231 -2.219814
F -3.014952 -1.424498 -1.216769
F -5.693729 -1.236373 -0.939329
F -4.579277 -1.075217 1.047981
F -7.027551 0.385964 0.704814
F -5.206634 1.609250 1.258855
F -6.021171 1.680329 -0.861829
O 2.886217 -2.338384 -1.627321
O 4.253777 -1.513012 0.737623
N 4.155293 0.078995 -1.498966
N 7.394399 0.536025 0.527886
C -0.874800 -0.816398 1.213338
C -1.665228 0.521325 0.929538
C 0.372118 -1.217005 0.322694
C -2.417452 0.790494 -0.435596
C 1.582665 -0.258858 0.213116
C -3.569833 -0.149540 -0.970182
C -4.895793 -0.384591 -0.141647
C 4.776740 1.234592 -0.818046
C 6.172431 1.509534 -1.425464
C -5.794160 0.852035 0.241040
C 7.196191 0.459141 -0.938364
C 8.350913 1.584863 0.932421
C 7.685513 -0.769244 1.160656
H 3.691472 0.213096 -2.407731
H 4.117854 2.122308 -0.875597
H 4.944263 0.975945 0.246450
H 6.481759 2.526381 -1.113626
H 6.126580 1.510440 -2.532126
H 8.155707 0.584125 -1.497731
H 6.806455 -0.544793 -1.187146
H 8.059247 2.560150 0.503750
H 9.400684 1.367989 0.609202
H 8.346559 1.687693 2.032258
H 6.874557 -1.479615 0.927604
H 7.717591 -0.644819 2.258140
H 8.660727 -1.210951 0.837038


