%chk=000133063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133063

0 1
 S    2.622300      0.4113000     -0.5826000    
 F    1.934400       2.710100      0.3944000    
 F    3.346900       1.577600       1.614000    
 F    4.023100       2.552900     -0.2163000    
 O    1.523700     -0.2015000      0.4637000    
 O    3.807800     -0.4221000     -0.5868000    
 O    1.956500      0.8187000      -1.803400    
 N   -3.534100      0.9103000      0.2501000    
 C   -2.760200     -0.2595000     -0.1629000    
 C   -3.407500      -1.535200      0.3790000    
 C   -1.314600     -0.1500000      0.3417000    
 C   -2.668400      -2.768500     -0.1414000    
 C  -0.5285000      -1.427000      0.1666000    
 C   -1.169000      -2.665600     -1.9300001E-02
 C   0.8715000      -1.381400      0.2517000    
 C   -2.946800       2.131200     -0.2804000    
 C  -0.3944000      -3.828100     -0.1526000    
 C    1.629300      -2.545400      0.1278000    
 C   -3.782200       3.341900      0.1278000    
 C   0.9967000      -3.768000     -7.6499999E-02
 C   -3.200700       4.630500     -0.4328000    
 C    2.994200       1.867900      0.3384000    
 H   -2.759000     -0.3209000      -1.260600    
 H   -4.461300      -1.598400      8.0899999E-02
 H   -3.386500      -1.529700       1.477300    
 H   -1.295700      0.1141000       1.407400    
 H  -0.7895000      0.6323000     -0.2179000    
 H   -2.913000      -2.915000      -1.201100    
 H   -3.027200      -3.648900      0.4052000    
 H   -4.495300      0.8184000     -7.7500001E-02
 H   -1.941600       2.303800      0.1163000    
 H   -2.882200       2.084600      -1.374300    
 H  -0.8745000      -4.790000     -0.3154000    
 H    2.710700      -2.530600      0.2152000    
 H   -4.811200       3.230200     -0.2353000    
 H   -3.830800       3.415500       1.221200    
 H    1.585000      -4.676000     -0.1705000    
 H   -2.183400       4.796100     -6.3600004E-02
 H   -3.169600       4.604100      -1.526700    
 H   -3.814200       5.485300     -0.1314000    


%chk=000133063-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000133063

0 1
S 2.473310 0.598185 -0.928647
F 0.940859 2.513770 0.565146
F 2.966457 2.065186 1.506067
F 2.835583 3.402723 -0.322250
O 1.711933 -0.682803 0.763821
O 4.031897 0.593654 -1.407840
O 1.301399 0.776777 -2.057116
N -3.207304 0.968636 0.226504
C -2.549049 -0.281502 -0.205841
C -3.314655 -1.501082 0.346054
C -1.087381 -0.296941 0.291964
C -2.694737 -2.802233 -0.202365
C -0.440339 -1.663422 0.217716
C -1.182434 -2.848685 -0.009427
C 0.994572 -1.769860 0.435404
C -2.690996 2.246118 -0.307042
C -0.506372 -4.096654 -0.060388
C 1.652479 -3.048054 0.358215
C -3.555453 3.432719 0.161489
C 0.900524 -4.201711 0.116738
C -3.032030 4.782166 -0.374876
C 2.297587 2.280341 0.307139
H -2.534943 -0.365693 -1.323982
H -4.382695 -1.446945 0.055235
H -3.269805 -1.482715 1.452224
H -1.067936 0.066190 1.341610
H -0.483012 0.422560 -0.286873
H -2.922980 -2.888899 -1.285013
H -3.156820 -3.682268 0.282996
H -4.233876 0.910677 0.175213
H -1.652455 2.390310 0.045368
H -2.645658 2.235956 -1.424696
H -1.092312 -5.006643 -0.241532
H 2.735739 -3.077166 0.513502
H -4.602987 3.281645 -0.175057
H -3.573951 3.443253 1.268090
H 1.385124 -5.182205 0.070343
H -1.997619 4.969946 -0.032235
H -3.027967 4.799353 -1.480748
H -3.661000 5.620318 -0.025510


