%chk=000034600.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034600

0 1
 S   -4.407700       1.413700      0.4384000    
 F   -5.146500      0.3171000      -2.223900    
 F   -3.007900      0.7562000      -2.230000    
 F   -3.698300      -1.311200      -2.354500    
 N  -0.4957000     -0.5943000      0.9667000    
 N    4.247600      0.4779000      0.1887000    
 N    6.841400     -0.1853000     -0.9025000    
 C   -1.555500      0.1836000      0.5751000    
 C   0.7565000     -0.1698000       1.564200    
 C   -2.590200     -0.6668000      0.2232000    
 C    3.188900      0.3670000       1.190200    
 C    1.881000     -6.9700003E-02  0.5337000    
 C    4.495400     -0.8185000     -0.4538000    
 C    5.482500      0.9954000      0.7906000    
 C  -0.8188000      -1.929100      0.8785000    
 C   -2.131500      -2.006700      0.4119000    
 C   -3.918500     -0.2096000     -0.2869000    
 C    5.606200     -0.7032000      -1.503500    
 C    6.594100       1.110300     -0.2581000    
 C   -1.590700       1.644000      0.5605000    
 C   -2.838100       2.299000      0.4748000    
 C  -5.2000001E-02  -3.062100       1.173700    
 C   -2.706400      -3.281000      0.2247000    
 C   -3.943400     -0.1093000      -1.811300    
 C    7.899000     -7.2999999E-02  -1.905100    
 C  -0.4176000       2.409900      0.6241000    
 C  -0.6446000      -4.313100      0.9825000    
 C   -1.951800      -4.423300      0.5145000    
 C   -2.886600       3.700300      0.4707000    
 C  -0.4796000       3.804000      0.6092000    
 C   -1.711200       4.447700      0.5338000    
 H   0.6020000      0.7336000       2.158600    
 H    1.030400     -0.9115000       2.325700    
 H    3.465900     -0.3367000       1.986000    
 H    3.029200       1.345100       1.661200    
 H    1.981300      -1.073200      0.1067000    
 H    1.626900      0.5793000     -0.3110000    
 H    3.620600      -1.175200      -1.004500    
 H    4.760900      -1.584300      0.2874000    
 H    5.817400      0.3502000       1.614200    
 H    5.301500       1.992500       1.210200    
 H   -4.690900     -0.9215000      2.5300000E-02
 H    5.789400      -1.699800      -1.923700    
 H    5.271300     -5.7799999E-02  -2.327300    
 H    6.322300       1.872000      -1.001700    
 H    7.506700       1.454900      0.2433000    
 H   0.9707000      -2.997300       1.529100    
 H   -3.724300      -3.383800     -0.1406000    
 H    8.831200      0.2705000      -1.443300    
 H    7.635900      0.6230000      -2.709800    
 H    8.111200      -1.051000      -2.351000    
 H   0.5823000       2.023700      0.6184000    
 H  -7.4800000E-02  -5.212900       1.199800    
 H   -2.391800      -5.406600      0.3716000    
 H   -3.836900       4.226800      0.4177000    
 H   0.4353000       4.388800      0.6435000    
 H   -1.757100       5.532800      0.5228000    


%chk=000034600-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034600

0 1
S -4.510496 1.413034 0.822110
F -5.652419 0.339934 -1.908353
F -3.480421 0.907735 -2.237896
F -4.105771 -1.273243 -2.282177
N -0.503262 -0.581698 0.893653
N 4.418464 0.301893 0.201204
N 7.092650 -0.091828 -0.865396
C -1.618995 0.210425 0.529508
C 0.787609 -0.150244 1.462012
C -2.700645 -0.648320 0.258207
C 3.300311 0.105282 1.152789
C 1.961204 -0.215751 0.456679
C 4.781634 -0.934937 -0.538825
C 5.617819 0.859396 0.880567
C -0.876888 -1.935030 0.832918
C -2.255257 -2.007791 0.430957
C -4.078893 -0.186270 -0.104178
C 5.903374 -0.648414 -1.550584
C 6.732530 1.146845 -0.137376
C -1.669782 1.675473 0.473630
C -2.934994 2.334075 0.600293
C -0.121649 -3.093286 1.125572
C -2.876793 -3.277084 0.292186
C -4.319684 -0.035969 -1.615330
C 8.234313 0.099201 -1.779250
C -0.529070 2.500313 0.252534
C -0.764241 -4.340608 0.994882
C -2.126170 -4.432039 0.578873
C -3.031712 3.741346 0.585991
C -0.621875 3.906107 0.242503
C -1.873308 4.533916 0.431372
H 0.674599 0.870358 1.864262
H 1.007498 -0.808189 2.325862
H 3.529029 -0.700157 1.902329
H 3.188548 1.048521 1.725356
H 1.983659 -1.223401 0.002867
H 1.809893 0.502451 -0.370597
H 3.897234 -1.307020 -1.085612
H 5.123273 -1.738984 0.162336
H 6.014796 0.153894 1.654070
H 5.330326 1.799980 1.387592
H -4.836524 -0.907564 0.250430
H 6.191447 -1.590987 -2.053010
H 5.511641 0.053936 -2.330984
H 6.384430 1.949956 -0.837035
H 7.627826 1.520431 0.394477
H 0.926608 -3.038716 1.437250
H -3.917333 -3.359969 -0.039809
H 9.110827 0.457690 -1.209890
H 8.029979 0.834512 -2.599119
H 8.502495 -0.865679 -2.246191
H 0.437972 2.037649 0.041032
H -0.206045 -5.258410 1.210319
H -2.588231 -5.420070 0.477631
H -4.014580 4.216306 0.674250
H 0.276797 4.507116 0.068731
H -1.957146 5.625583 0.423081


