%chk=000169829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169829

0 1
 S   -6.653800      0.3995000     -0.4046000    
 F   -1.414300     -0.5536000     -0.6534000    
 F  -4.3900002E-02  -1.153900      0.9281000    
 F   0.2303000       1.305100      -1.563100    
 F    1.073000     -0.6987000      -1.451900    
 F  -0.1406000       1.339900       2.029200    
 F   -2.075100      0.3675000       1.823700    
 F    2.834600       1.362500     -0.9103000    
 F    1.580100       1.997400      0.7476000    
 F  -0.6619000       2.847900     -0.1770000    
 F   -2.107300       3.027700       1.432900    
 F    1.789100     -0.3705000       1.957800    
 F    3.673900      0.6201000       1.546900    
 F   -2.342200       1.273500      -1.589400    
 F   -3.145200       3.214200      -1.061600    
 F    2.151100      -2.111800     -5.7900000E-02
 F    3.723200      -2.062900       1.436700    
 F    3.714000     -0.7591000      -1.832200    
 F    4.549600      -2.600900      -1.042200    
 F    6.161200      -1.192300      0.6607000    
 F    5.341400      0.6912000     -7.6399997E-02
 F    6.376200     -0.6496000      -1.440300    
 O   -7.708800      -4.550000      0.4861000    
 C  -0.4510000     -8.7800004E-02  0.1903000    
 C   0.7027000      0.3745000     -0.6941000    
 C   -1.067200      0.9519000       1.116200    
 C    1.944000      0.9116000      6.3999998E-03
 C   -1.673600       2.183700      0.4528000    
 C    2.652500     -5.4600000E-02  0.9484000    
 C   -2.814400       2.002500     -0.5372000    
 C    3.196400      -1.361600      0.3898000    
 C   -4.093100       1.339100     -3.1300001E-02
 C    4.243000      -1.312700     -0.7127000    
 C   -5.177300       1.202100      -1.095900    
 C    5.535100     -0.6074000     -0.3821000    
 C   -6.080600      -1.312600     -0.4829000    
 C   -7.146100      -2.262300      5.0700001E-02
 C   -6.675000      -3.709700     -8.1000002E-03
 H   -3.837200      0.3447000      0.3454000    
 H   -4.480300       1.926900      0.8101000    
 H   -5.475300       2.195000      -1.448600    
 H   -4.819000      0.6420000      -1.965500    
 H   -5.848200      -1.563300      -1.523300    
 H   -5.168300      -1.425000      0.1100000    
 H   -8.075800      -2.167000     -0.5253000    
 H   -7.404600      -2.014600       1.088600    
 H   -6.449200      -4.005600      -1.037600    
 H   -5.782600      -3.855700      0.6088000    
 H   -7.381100      -5.464200      0.4367000    


%chk=000169829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169829

0 1
S -6.877289 0.316516 -0.091962
F -1.522945 -0.612795 -0.271143
F 0.010359 -0.883180 1.390770
F 0.180004 1.093451 -1.648519
F 0.937366 -1.006957 -1.198447
F -0.121395 1.766550 2.077031
F -2.084727 0.601380 2.093049
F 2.829308 0.953304 -1.419727
F 1.853937 2.205802 0.217546
F -0.877700 3.181123 -0.157280
F -2.317119 3.249541 1.615877
F 2.361969 0.291303 2.113839
F 4.165387 1.068573 0.952997
F -2.603155 1.542419 -1.582210
F -3.513266 3.485419 -0.804220
F 2.473103 -2.135350 0.745681
F 4.319593 -1.490153 1.917343
F 3.731880 -1.644798 -1.667617
F 4.828320 -3.038391 -0.230096
F 6.574510 -0.763684 0.444439
F 5.614299 0.338444 -1.296856
F 6.615398 -1.661426 -1.637746
O -7.880895 -4.785279 -0.095839
C -0.474407 0.036963 0.429839
C 0.682913 0.263097 -0.624483
C -1.125744 1.225021 1.244483
C 2.084286 0.881543 -0.217400
C -1.855259 2.437378 0.541566
C 3.027917 0.224140 0.871262
C -3.092629 2.178717 -0.393465
C 3.576925 -1.252621 0.736442
C -4.267306 1.408279 0.193581
C 4.491202 -1.687493 -0.478676
C -5.471566 1.371616 -0.773518
C 5.844141 -0.921328 -0.736806
C -6.202842 -1.408721 -0.512699
C -7.265214 -2.462169 -0.154901
C -6.786626 -3.882553 -0.484444
H -3.935206 0.382020 0.424642
H -4.563871 1.881647 1.145724
H -5.899415 2.376315 -0.915604
H -5.185615 0.970955 -1.760227
H -5.972428 -1.419618 -1.593592
H -5.271825 -1.575636 0.059014
H -8.200044 -2.265600 -0.711161
H -7.507176 -2.413718 0.922946
H -6.565401 -3.969309 -1.571125
H -5.857992 -4.115892 0.081895
H -7.625358 -5.721747 -0.291201


