%chk=000162085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162085

0 1
 S    2.571000      -1.177600      0.5286000    
 F   -1.099200      -3.396600     -0.7729000    
 F   -1.413400      -1.385500      -1.531400    
 F   -2.548400      -2.917000       1.424000    
 F   -3.593300      -2.593000     -0.4559000    
 F   -4.315000     -0.9650000       1.534100    
 F   -2.275100     -0.2739000       1.829600    
 F   -4.296300     -9.9600002E-02  -1.051600    
 F   -2.231900      0.5679000     -0.8596000    
 F   -5.055000       1.473400       1.007400    
 F   -3.013800       2.168400       1.299300    
 F   -4.527100       3.923200     -8.7099999E-02
 F   -2.968100       3.045800      -1.334600    
 F   -5.032600       2.411900      -1.580100    
 O    2.401900      0.2357000      0.8322000    
 O    2.768200      -2.127200       1.613600    
 O    5.565900      0.8938000     -0.2493000    
 O    7.720900       1.532500     -0.7858000    
 N    3.846600      -1.357400     -0.6127000    
 C   -1.313800      -2.107000     -0.3865000    
 C   -2.637700      -2.066500      0.3610000    
 C  -0.1068000      -1.631300      0.4125000    
 C   -3.138900     -0.7267000      0.8862000    
 C    1.172700      -1.705200     -0.4107000    
 C   -3.374800      0.3566000     -0.1568000    
 C   -3.875400       1.696900      0.3609000    
 C    4.011500     -0.2963000      -1.637400    
 C    4.094200      -2.712900      -1.164700    
 C   -4.112100       2.776700     -0.6653000    
 C    5.402600      0.3016000      -1.531700    
 C    6.777700       1.474100     -1.2900000E-02
 C    6.759300       2.027400       1.357100    
 C    7.836200       2.653100       1.840500    
 H  -3.9999999E-04  -2.240900       1.317200    
 H  -0.2515000     -0.5929000      0.7277000    
 H    1.101100      -1.062500      -1.293400    
 H    1.349900      -2.736700     -0.7280000    
 H    3.268500      0.4947000      -1.492300    
 H    3.846200     -0.7005000      -2.642400    
 H    4.013800      -3.468200     -0.3781000    
 H    5.112000      -2.768300      -1.563300    
 H    3.387800      -2.946600      -1.966000    
 H    6.164500     -0.4738000      -1.674400    
 H    5.527800       1.068600      -2.304700    
 H    5.864100       1.917500       1.958900    
 H    7.822000       3.059000       2.846600    
 H    8.745700       2.778600       1.263400    


%chk=000162085-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162085

0 1
S 2.581548 -0.351405 0.316110
F -0.865777 -3.295096 -0.716174
F -1.619786 -1.349230 -1.644842
F -2.225808 -2.816429 1.631779
F -3.500682 -2.896621 -0.261021
F -4.450343 -1.244826 1.680800
F -2.458466 -0.128800 1.848287
F -4.333545 -0.450327 -1.244914
F -2.698202 0.993739 -0.547698
F -6.174041 0.575851 0.361547
F -4.647608 1.605565 1.720457
F -6.241937 3.213953 -0.100320
F -3.990926 3.422714 -0.210456
F -5.105129 2.271695 -1.825842
O 2.267866 1.235946 0.159845
O 2.664555 -1.084611 1.763814
O 6.373555 1.272195 -1.084847
O 7.435624 -0.556228 -0.070139
N 4.191976 -0.674666 -0.545383
C -1.259814 -1.956243 -0.395566
C -2.574157 -2.105008 0.449190
C -0.098341 -1.214640 0.254629
C -3.322484 -0.806691 0.949434
C 1.143524 -1.275143 -0.641935
C -3.819394 0.231304 -0.125316
C -4.927240 1.231981 0.387188
C 4.331161 0.068492 -1.812394
C 4.612279 -2.089625 -0.483429
C -5.059939 2.557981 -0.454858
C 5.811114 0.377120 -2.113971
C 7.137935 0.663735 -0.070730
C 7.534870 1.682520 0.930426
C 8.305808 1.353675 1.999199
H 0.121970 -1.679845 1.232918
H -0.385648 -0.163679 0.432595
H 1.040287 -0.716478 -1.583747
H 1.515438 -2.298992 -0.797178
H 3.783178 1.022418 -1.706805
H 3.922691 -0.491067 -2.687699
H 4.309411 -2.509141 0.491361
H 5.716193 -2.105573 -0.513791
H 4.203554 -2.710925 -1.310857
H 6.420808 -0.541231 -2.174992
H 5.874359 0.938276 -3.061145
H 7.164184 2.698311 0.762123
H 8.594715 2.100167 2.745990
H 8.652164 0.323182 2.139557


