%chk=000018134.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018134

0 1
 S    2.955600      0.2340000      0.9617000    
 F   0.2456000       1.481400       1.664000    
 F  -0.6199000       3.086100      0.4842000    
 F  -0.2830000     -0.2832000     -0.4914000    
 F   -1.188200       1.384800      -1.554900    
 F    1.096300       2.712400      -1.511100    
 F    2.007600       3.104700      0.4206000    
 F   -2.891200       1.838300      0.4832000    
 F   -2.015600      0.2151000       1.641200    
 F    3.353100       1.483400      -1.270900    
 F    1.720400      5.4000001E-02  -1.315600    
 F   -3.457200      0.1344000      -1.573300    
 F   -2.551900      -1.529300     -0.4967000    
 F   -4.301600      -1.032400       1.627100    
 F   -5.169900      0.5901000      0.4661000    
 F   -5.802600      -1.136700      -1.555200    
 F   -6.587200      -1.720800      0.3942000    
 F   -4.901400      -2.796500     -0.4590000    
 O    3.772700       1.215000       1.651000    
 O    1.850000     -0.4056000       1.649900    
 O    6.941100      -1.686100      -1.519900    
 O    6.451600      -2.246600      0.6298000    
 N    3.974800     -0.9909000      0.3216000    
 C   1.9400001E-02   1.883800      0.3896000    
 C  -0.9148000      0.9040000     -0.3084000    
 C    1.354700       2.144800     -0.2959000    
 C    2.317400      0.9900000     -0.5331000    
 C   -2.252900      0.6386000      0.3729000    
 C   -3.186100     -0.3407000     -0.3250000    
 C   -4.520900     -0.6040000      0.3567000    
 C    3.357900      -2.274000     -9.3599997E-02
 C    5.107500     -0.6007000     -0.5525000    
 C   -5.452700      -1.573100     -0.3271000    
 C    3.358300      -3.277900       1.046700    
 C    6.213200      -1.596200     -0.3768000    
 H    2.327900      -2.103500     -0.4253000    
 H    3.872600      -2.709500     -0.9574000    
 H    5.500200      0.3809000     -0.2723000    
 H    4.775000     -0.5784000      -1.595600    
 H    4.373600      -3.517000       1.373800    
 H    2.813000      -2.898100       1.915800    
 H    2.879200      -4.209300      0.7289000    
 H    7.674300      -2.332400      -1.436500    


%chk=000018134-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018134

0 1
S 2.906410 -0.771103 0.640747
F 0.274502 0.945492 1.515301
F -0.596292 2.795135 0.480312
F -1.023472 -0.749217 -0.025761
F -1.391005 0.773593 -1.694805
F 0.823490 2.321412 -1.814675
F 2.063303 2.480610 0.090663
F -3.201877 2.129288 -0.290234
F -2.553174 1.213900 1.708408
F 3.084312 0.716775 -1.772261
F 1.200933 -0.567605 -1.688606
F -3.656733 -0.768891 -1.111603
F -3.556642 -1.178252 1.136482
F -5.362241 1.271842 1.348089
F -5.686877 0.924147 -0.891007
F -6.148502 -1.924992 -0.198568
F -7.625725 -0.332821 0.465492
F -6.207727 -1.248695 1.973014
O 3.287300 0.266341 1.822973
O 1.925823 -2.040608 0.818799
O 7.845731 -0.133155 0.593564
O 6.910721 -2.214108 1.058954
N 4.425899 -1.307673 -0.117021
C -0.115908 1.481491 0.267815
C -1.306583 0.608308 -0.295098
C 1.181669 1.630369 -0.620477
C 1.978752 0.353858 -0.977670
C -2.715310 0.956691 0.330221
C -3.798141 -0.181117 0.165431
C -5.288894 0.311132 0.313862
C 4.354200 -2.435248 -1.087774
C 5.564264 -0.399624 -0.015147
C -6.329656 -0.823834 0.648726
C 4.418007 -3.822141 -0.422967
C 6.798744 -1.060124 0.608894
H 3.432646 -2.343632 -1.695966
H 5.206310 -2.286927 -1.778403
H 5.295720 0.458792 0.631003
H 5.852872 0.013856 -1.001430
H 5.324326 -3.910041 0.196144
H 3.532345 -3.986486 0.212720
H 4.434360 -4.603264 -1.205877
H 8.658019 -0.530576 1.009237


