%chk=000168089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168089

0 1
 F   1.0700000E-02  -3.512100      -1.800500    
 F   -1.078800      -1.670000      -2.151800    
 F    1.095600      -1.656900      -2.132100    
 O    3.061700      0.1416000      0.3918000    
 O   -3.068600      0.1320000      0.3953000    
 O    2.992900      0.8134000      -1.822500    
 O   -2.993100      0.7862000      -1.824100    
 N  -8.6000003E-03   3.252400      0.4230000    
 C  -1.4000000E-03  0.5722000     -0.4899000    
 C    1.273400       1.400200     -0.3004000    
 C   -1.282900       1.393300     -0.2994000    
 C   2.0999999E-03 -0.5970000      0.4530000    
 C    1.221100       2.668600      0.1648000    
 C   -1.236400       2.666300      0.1556000    
 C   6.2000002E-03  -1.900200     -3.2699998E-02
 C   2.2000000E-03 -0.3518000       1.822000    
 C    2.539300      0.7608000     -0.6942000    
 C   -2.544400      0.7452000     -0.6933000    
 C    2.411200       3.548100      0.4371000    
 C   -2.429100       3.545800      0.4172000    
 C   1.0500000E-02  -2.970900      0.8614000    
 C   6.3000000E-03  -2.180400      -1.499500    
 C   6.3000000E-03  -1.422700       2.716000    
 C   1.0400000E-02  -2.732000       2.235700    
 C    4.304800     -0.5315000      0.1672000    
 C   -4.306900     -0.5495000      0.1705000    
 C    4.760500      -1.170700       1.461700    
 C   -4.765100      -1.180500       1.468100    
 H  -1.7000000E-03  0.2777000      -1.544000    
 H  -1.0900000E-02   4.205000      0.7701000    
 H  -7.9999998E-04  0.6568000       2.225100    
 H    2.422100       3.853600       1.488900    
 H    3.364200       3.053100      0.2297000    
 H    2.365300       4.449200     -0.1838000    
 H   -3.379900       3.048000      0.2072000    
 H   -2.445900       3.857000       1.467200    
 H   -2.381000       4.443500     -0.2085000    
 H   1.3800000E-02  -3.998600      0.5093000    
 H   6.3000000E-03  -1.236900       3.786000    
 H   1.3600000E-02  -3.565500       2.932000    
 H    5.055000      0.1907000     -0.1736000    
 H    4.168100      -1.303400     -0.5986000    
 H   -4.162700      -1.326800     -0.5883000    
 H   -5.059400      0.1660000     -0.1796000    
 H    5.709400      -1.696700       1.325800    
 H    4.883900     -0.4131000       2.242700    
 H    4.010400      -1.881300       1.824600    
 H   -5.710600      -1.712700       1.332200    
 H   -4.012900      -1.884200       1.840200    
 H   -4.896200     -0.4173000       2.242200    


%chk=000168089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168089

0 1
F -1.101414 -4.061849 -0.916089
F 0.012579 -2.342694 -1.857649
F 1.158145 -4.043169 -0.920156
O 3.688090 0.890117 -0.184168
O -3.702689 0.837379 -0.162213
O 2.504088 -1.015739 -0.809489
O -2.494693 -1.049471 -0.799067
N -0.016574 2.659516 0.985149
C -0.000674 -0.022250 -0.041129
C 1.271610 0.831636 0.123883
C -1.283765 0.813989 0.130519
C 0.009895 -1.196678 0.969463
C 1.230977 2.103012 0.664472
C -1.258017 2.085770 0.670944
C 0.019124 -2.580000 0.639286
C 0.010132 -0.850565 2.347012
C 2.496172 0.148862 -0.325881
C -2.500980 0.114200 -0.313154
C 2.399611 3.024184 0.950672
C -2.437784 2.990722 0.963302
C 0.027748 -3.558687 1.670717
C 0.021584 -3.189667 -0.746540
C 0.018873 -1.818597 3.368817
C 0.027636 -3.189444 3.027593
C 4.921712 0.181889 -0.640967
C -4.928710 0.112190 -0.612939
C 6.096040 1.119008 -0.374549
C -6.115798 1.027915 -0.329385
H -0.000618 -0.445639 -1.055021
H -0.022041 3.597325 1.386668
H 0.003055 0.211836 2.615546
H 3.150686 2.527969 1.584592
H 2.921821 3.299799 0.019810
H 2.059409 3.948658 1.453723
H -3.178554 2.484137 1.601110
H -2.107673 3.919756 1.464667
H -2.968643 3.259286 0.035263
H 0.034643 -4.618708 1.397931
H 0.018764 -1.509474 4.420157
H 0.034363 -3.960662 3.804724
H 4.808145 -0.060233 -1.713134
H 5.004108 -0.770187 -0.086284
H -4.990406 -0.845023 -0.064493
H -4.820915 -0.120381 -1.687828
H 7.036916 0.638888 -0.700215
H 5.981777 2.066293 -0.929757
H 6.181668 1.351685 0.701205
H -7.051339 0.535338 -0.651809
H -6.196722 1.250196 0.748917
H -6.021357 1.981562 -0.877428


